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

Systemtic Name: 3-phenylpropyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-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=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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