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

Systemtic Name: 2-methoxyethyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C31H36N4O6S2 MolecularWeight: 624.77074

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=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

COCCOC(=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/C31H36N4O6S2/c1-40-22-23-41-29(37)17-16-28(36)33-31(42)32-26-12-14-27(15-13-26)43(38,39)35-20-18-34(19-21-35)30(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,30H,16-23H2,1H3,(H2,32,33,36,42)