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1-(4-ethoxy-3-nitrobenzoyl)-3-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]thiourea

1-(4-ethoxy-3-nitrobenzoyl)-3-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]thiourea

Formula: C23H18N4O4S2

SMILES: CCOC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC(=S)NC1=NC(=CS1)C1=CC2=CC=CC=C2C=C1

IUPAC: 1-(4-ethoxy-3-nitrobenzoyl)-3-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]thiourea

InChI: InChI=1S/C23H18N4O4S2/c1-2-31-20-10-9-17(12-19(20)27(29)30)21(28)25-22(32)26-23-24-18(13-33-23)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,2H2,1H3,(H2,24,25,26,28,32)

Composition: C (57.73%), H (3.79%), N (11.71%), O (13.37%), S (13.40%)

Molar Mass: 478.54

Atom Count: 51

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 478.076947424
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey IHYRYXDIEILAPE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 131.25
Topological Polar Surface Area 106.39
Polarizability 51.61
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H18N4O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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