2-iodanyl-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 2-iodanyl-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 2-iodo-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C13H16IN3OS MolecularWeight: 389.25511

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C13H16IN3OS/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,18,19)