N-(4-methylphenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(p-tolyl)-2-[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(4-methylphenyl)-2-[[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(p-tolyl)-2-[[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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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)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C26H28N4O2S/c1-20-6-8-22(9-7-20)28-25(31)19-33-24-5-3-2-4-23(24)26(32)30-16-14-29(15-17-30)18-21-10-12-27-13-11-21/h2-13H,14-19H2,1H3,(H,28,31)/p+1