3,5-bis(chloranyl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4O2S/c1-25-6-8-26(9-7-25)19(28)16-4-2-3-5-17(16)23-20(29)24-18(27)13-10-14(21)12-15(22)11-13/h2-5,10-12H,6-9H2,1H3,(H2,23,24,27,29)