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

Systemtic Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H24N4O5S2 MolecularWeight: 476.56906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O5S2/c1-24-10-12-25(13-11-24)32(28,29)18-8-6-17(7-9-18)22-21(31)23-19(26)15-4-3-5-16(14-15)20(27)30-2/h3-9,14H,10-13H2,1-2H3,(H2,22,23,26,31)