N-(3-methoxyphenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(3-methoxyphenyl)-2-[[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C26H28N4O3S/c1-33-22-6-4-5-21(17-22)28-25(31)19-34-24-8-3-2-7-23(24)26(32)30-15-13-29(14-16-30)18-20-9-11-27-12-10-20/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)/p+1