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

Systemtic Name: phenethyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C36H38N4O5S2 MolecularWeight: 670.84072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H38N4O5S2/c41-33(20-21-34(42)45-27-22-28-10-4-1-5-11-28)38-36(46)37-31-16-18-32(19-17-31)47(43,44)40-25-23-39(24-26-40)35(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,35H,20-27H2,(H2,37,38,41,46)