3-phenylpropyl 5-oxidanylidene-5-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[4-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O4S/c33-26(14-7-15-27(34)36-20-8-13-22-9-3-1-4-10-22)32-29(37)31-25-18-16-24(17-19-25)28(35)30-21-23-11-5-2-6-12-23/h1-6,9-12,16-19H,7-8,13-15,20-21H2,(H,30,35)(H2,31,32,33,37)