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

Systemtic Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanyl-cycloheptyl)ethanethioamide Openeye Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanyl-cycloheptyl)thioacetamide CAS Name: 2-(3,4-dichlorophenyl)-N-[5-mercapto-2-(1-pyrrolidinyl)cycloheptyl]-N-methylethanethioamide IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-yl-5-sulfanylcycloheptyl)ethanethioamide Traditional Name: 2-(3,4-dichlorophenyl)-N-(5-mercapto-2-pyrrolidino-cycloheptyl)-N-methyl-thioacetamide Formula: C20H28Cl2N2S2 MolecularWeight: 431.48572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28Cl2N2S2/c1-23(20(26)13-14-4-7-16(21)17(22)12-14)18-8-5-15(25)6-9-19(18)24-10-2-3-11-24/h4,7,12,15,18-19,25H,2-3,5-6,8-11,13H2,1H3