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

Systemtic Name: 3,4-bis(chloranyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H20Cl2N4O3S2 MolecularWeight: 487.4231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=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)13-6-7-14(20)15(21)12-13/h2-7,12H,8-11H2,1H3,(H2,22,23,26,29)