3-iodanyl-4-methoxy-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-iodo-4-methoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 3-iodo-4-methoxy-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-iodo-4-methoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C14H18IN3O2S MolecularWeight: 419.28109

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C14H18IN3O2S/c1-17-5-7-18(8-6-17)14(21)16-13(19)10-3-4-12(20-2)11(15)9-10/h3-4,9H,5-8H2,1-2H3,(H,16,19,21)