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

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C26H35N4O2S+ MolecularWeight: 467.6467

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C26H34N4O2S/c31-25(28-18-21-6-2-1-3-7-21)20-33-24-9-5-4-8-23(24)26(32)30-16-14-29(15-17-30)19-22-10-12-27-13-11-22/h4-5,8-13,21H,1-3,6-7,14-20H2,(H,28,31)/p+1