2-iodanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H21IN4O2S MolecularWeight: 508.37581

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C20H21IN4O2S/c1-24-10-12-25(13-11-24)19(27)15-7-3-5-9-17(15)22-20(28)23-18(26)14-6-2-4-8-16(14)21/h2-9H,10-13H2,1H3,(H2,22,23,26,28)