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

Systemtic Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 2-methyl-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 2-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H19N3OS/c1-11-5-3-4-6-12(11)13(18)15-14(19)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,15,18,19)/p+1