methyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O4S/c1-25-11-13-26(14-12-25)20(28)17-5-3-4-6-18(17)23-22(31)24-19(27)15-7-9-16(10-8-15)21(29)30-2/h3-10H,11-14H2,1-2H3,(H2,23,24,27,31)