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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[4-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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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)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c32-25(17-18-26(33)35-19-7-12-21-8-3-1-4-9-21)31-28(36)30-24-15-13-23(14-16-24)27(34)29-20-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-20H2,(H,29,34)(H2,30,31,32,36)