N-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide CAS Name: N-(4-ethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-sulfanylideneacetamide IUPAC Name: N-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-p-phenetyl-2-thioxo-acetamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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