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

Systemtic Name: propyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C31H36N4O5S2 MolecularWeight: 608.77134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O5S2/c1-2-23-40-29(37)18-17-28(36)33-31(41)32-26-13-15-27(16-14-26)42(38,39)35-21-19-34(20-22-35)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,30H,2,17-23H2,1H3,(H2,32,33,36,41)