4-iodanyl-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-iodanyl-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-iodo-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-iodo-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-iodo-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-iodo-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H21IN4O3S2 MolecularWeight: 544.42951

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)I

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN4O3S2/c1-29(26,27)24-12-10-23(11-13-24)17-5-3-2-4-16(17)21-19(28)22-18(25)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H2,21,22,25,28)