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

Systemtic Name: methyl 4-[(3-phenylpropanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-phenylpropanoylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-phenylpropanoylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H19N3O4S/c1-26-18(25)15-10-8-14(9-11-15)17(24)20-19(27)22-21-16(23)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3,(H,21,23)(H2,20,22,24,27)