N-(3-methylphenyl)-2-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[2-[(4-methyl-1-piperazin-4-iumyl)amino]-2-oxoethyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[(4-methylpiperazin-4-ium-1-yl)amino]ethyl]thio]-N-(m-tolyl)acetamide Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NN2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N4O2S/c1-13-4-3-5-14(10-13)17-15(21)11-23-12-16(22)18-20-8-6-19(2)7-9-20/h3-5,10H,6-9,11-12H2,1-2H3,(H,17,21)(H,18,22)/p+1