2,5-bis(chloranyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H20Cl2N4O3S2 MolecularWeight: 487.4231

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2N4O3S2/c1-30(27,28)25-10-8-24(9-11-25)17-5-3-2-4-16(17)22-19(29)23-18(26)14-12-13(20)6-7-15(14)21/h2-7,12H,8-11H2,1H3,(H2,22,23,26,29)