methyl 3-[(4-ethanoylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-ethanoylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-acetylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-acetylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-acetylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-acetylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C18H16N2O4S/c1-11(21)12-6-8-15(9-7-12)19-18(25)20-16(22)13-4-3-5-14(10-13)17(23)24-2/h3-10H,1-2H3,(H2,19,20,22,25)