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

Systemtic Name: 3-iodanyl-4-methyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 3-iodo-4-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 3-iodo-4-methyl-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 3-iodo-4-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C14H19IN3OS+ MolecularWeight: 404.28963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C)I

InChI

InChI=1S/C14H18IN3OS/c1-10-3-4-11(9-12(10)15)13(19)16-14(20)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3,(H,16,19,20)/p+1