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

Systemtic Name: 2-methoxyethyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C32H36N4O5S MolecularWeight: 588.71704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H36N4O5S/c1-40-22-23-41-29(38)17-16-28(37)34-32(42)33-27-15-9-8-14-26(27)31(39)36-20-18-35(19-21-36)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,30H,16-23H2,1H3,(H2,33,34,37,42)