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

Systemtic Name: 3-phenylpropyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C37H40N4O5S2 MolecularWeight: 684.8673

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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)OCCCC5=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)OCCCC5=CC=CC=C5

InChI

InChI=1S/C37H40N4O5S2/c42-34(22-23-35(43)46-28-10-13-29-11-4-1-5-12-29)39-37(47)38-32-18-20-33(21-19-32)48(44,45)41-26-24-40(25-27-41)36(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-9,11-12,14-21,36H,10,13,22-28H2,(H2,38,39,42,47)