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N-[3-({[(2-methylphenyl)formamido]methanethioyl}amino)phenyl]benzamide

N-[3-({[(2-methylphenyl)formamido]methanethioyl}amino)phenyl]benzamide

Formula: C22H19N3O2S

SMILES: CC1=CC=CC=C1C(=O)NC(=S)NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1

IUPAC: N-[3-({[(2-methylphenyl)formamido]methanethioyl}amino)phenyl]benzamide

InChI: InChI=1S/C22H19N3O2S/c1-15-8-5-6-13-19(15)21(27)25-22(28)24-18-12-7-11-17(14-18)23-20(26)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)(H2,24,25,27,28)

Composition: C (67.85%), H (4.92%), N (10.79%), O (8.22%), S (8.23%)

Molar Mass: 389.47

Atom Count: 47

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 389.119798038
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey YUINTINRNKQCIP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 118.4
Topological Polar Surface Area 70.23
Polarizability 43.55
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H19N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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