methyl 3-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C33H32N4O5S2 MolecularWeight: 628.76098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H32N4O5S2/c1-42-32(39)27-14-8-13-26(23-27)31(38)35-33(43)34-28-15-17-29(18-16-28)44(40,41)37-21-19-36(20-22-37)30(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-18,23,30H,19-22H2,1H3,(H2,34,35,38,43)