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

Systemtic Name: 3,4-bis(chloranyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H20Cl2N4OS MolecularWeight: 423.3593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N4OS/c1-24-8-10-25(11-9-24)17-5-3-2-4-16(17)22-19(27)23-18(26)13-6-7-14(20)15(21)12-13/h2-7,12H,8-11H2,1H3,(H2,22,23,26,27)