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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I

InChI

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