N-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)-1-piperidyl]ethyl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[2-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]ethyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(pyrrolidine-1-carbonyl)piperidino]ethyl]thio]-N-(m-tolyl)acetamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C21H29N3O3S/c1-16-5-4-6-18(13-16)22-19(25)14-28-15-20(26)23-11-7-17(8-12-23)21(27)24-9-2-3-10-24/h4-6,13,17H,2-3,7-12,14-15H2,1H3,(H,22,25)