N-(4-methylphenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: 2-[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]-N-(p-tolyl)acetamide Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H32N4O3S/c1-20-8-10-21(11-9-20)27-24(31)19-34-23-7-3-2-6-22(23)26(33)30-16-14-28(15-17-30)18-25(32)29-12-4-5-13-29/h2-3,6-11H,4-5,12-19H2,1H3,(H,27,31)/p+1