3-phenylpropyl 4-[(4-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-benzamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-benzamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-benzamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-benzamidophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27N3O4S/c31-24(17-18-25(32)34-19-7-10-20-8-3-1-4-9-20)30-27(35)29-23-15-13-22(14-16-23)28-26(33)21-11-5-2-6-12-21/h1-6,8-9,11-16H,7,10,17-19H2,(H,28,33)(H2,29,30,31,35)