N-(3-chloranyl-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-sulfanylideneacetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide Formula: C14H19ClN3OS+ MolecularWeight: 312.83816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H18ClN3OS/c1-10-11(15)4-3-5-12(10)16-13(19)14(20)18-8-6-17(2)7-9-18/h3-5H,6-9H2,1-2H3,(H,16,19)/p+1