methyl 3-[[4-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-propionamidophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-3-16(23)20-14-7-9-15(10-8-14)21-19(27)22-17(24)12-5-4-6-13(11-12)18(25)26-2/h4-11H,3H2,1-2H3,(H,20,23)(H2,21,22,24,27)