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N-methyl-N-(4-{[(phenylformamido)methanethioyl]amino}phenyl)acetamide

N-methyl-N-(4-{[(phenylformamido)methanethioyl]amino}phenyl)acetamide

Formula: C17H17N3O2S

SMILES: CN(C(C)=O)C1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1

IUPAC: N-methyl-N-(4-{[(phenylformamido)methanethioyl]amino}phenyl)acetamide

InChI: InChI=1S/C17H17N3O2S/c1-12(21)20(2)15-10-8-14(9-11-15)18-17(23)19-16(22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19,22,23)

Composition: C (62.37%), H (5.23%), N (12.83%), O (9.77%), S (9.79%)

Molar Mass: 327.4

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 327.104147973
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey JZMYYBKKWQPBAI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.8
Topological Polar Surface Area 61.44
Polarizability 35.88
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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