2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanyl-cycloheptyl)ethanamide

Systemtic Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanyl-cycloheptyl)ethanamide Openeye Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanyl-cycloheptyl)acetamide CAS Name: 2-(3,4-dichlorophenyl)-N-[5-mercapto-2-(1-pyrrolidinyl)cycloheptyl]-N-methylacetamide IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanylcycloheptyl)acetamide Traditional Name: 2-(3,4-dichlorophenyl)-N-(5-mercapto-2-pyrrolidino-cycloheptyl)-N-methyl-acetamide Formula: C20H28Cl2N2OS MolecularWeight: 415.42012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CCC1N2CCCC2)S)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN(C1CCC(CCC1N2CCCC2)S)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H28Cl2N2OS/c1-23(20(25)13-14-4-7-16(21)17(22)12-14)18-8-5-15(26)6-9-19(18)24-10-2-3-11-24/h4,7,12,15,18-19,26H,2-3,5-6,8-11,13H2,1H3