3-phenylpropyl 5-oxidanylidene-5-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C34H34N4O4S MolecularWeight: 594.72316

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H34N4O4S/c39-31(18-9-19-32(40)42-24-10-13-25-11-3-1-4-12-25)38-34(43)37-30-17-8-7-16-29(30)33(41)36-28-22-20-27(21-23-28)35-26-14-5-2-6-15-26/h1-8,11-12,14-17,20-23,35H,9-10,13,18-19,24H2,(H,36,41)(H2,37,38,39,43)