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

Systemtic Name: 3-ethoxy-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 3-ethoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 3-ethoxy-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 3-ethoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H21N3O2S/c1-3-20-13-6-4-5-12(11-13)14(19)16-15(21)18-9-7-17(2)8-10-18/h4-6,11H,3,7-10H2,1-2H3,(H,16,19,21)/p+1