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

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C26H39N4O3S+ MolecularWeight: 487.67786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H38N4O3S/c31-24(27-18-21-8-2-1-3-9-21)20-34-23-11-5-4-10-22(23)26(33)30-16-14-28(15-17-30)19-25(32)29-12-6-7-13-29/h4-5,10-11,21H,1-3,6-9,12-20H2,(H,27,31)/p+1