phenethyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C37H38N4O4S MolecularWeight: 634.78702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)CCC(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)CCC(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C37H38N4O4S/c42-33(20-21-34(43)45-27-22-28-12-4-1-5-13-28)39-37(46)38-32-19-11-10-18-31(32)36(44)41-25-23-40(24-26-41)35(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-19,35H,20-27H2,(H2,38,39,42,46)