propyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-acetamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetamidophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C

InChI

InChI=1S/C16H21N3O4S/c1-3-9-23-15(22)8-7-14(21)19-16(24)18-13-6-4-5-12(10-13)17-11(2)20/h4-6,10H,3,7-9H2,1-2H3,(H,17,20)(H2,18,19,21,24)