3-phenylpropyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C33H32N4O4S MolecularWeight: 580.69658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C33H32N4O4S/c38-30(21-22-31(39)41-23-9-12-24-10-3-1-4-11-24)37-33(42)36-29-16-8-7-15-28(29)32(40)35-27-19-17-26(18-20-27)34-25-13-5-2-6-14-25/h1-8,10-11,13-20,34H,9,12,21-23H2,(H,35,40)(H2,36,37,38,42)