N-[4,4-bis(methylsulfanyl)-2-pyrrolidin-1-yl-cyclohexyl]-2-(3,4-dichlorophenyl)-N-methyl-ethanethioamide

Systemtic Name: N-[4,4-bis(methylsulfanyl)-2-pyrrolidin-1-yl-cyclohexyl]-2-(3,4-dichlorophenyl)-N-methyl-ethanethioamide Openeye Name: N-[4,4-bis(methylsulfanyl)-2-pyrrolidin-1-yl-cyclohexyl]-2-(3,4-dichlorophenyl)-N-methyl-thioacetamide CAS Name: N-[4,4-bis(methylthio)-2-(1-pyrrolidinyl)cyclohexyl]-2-(3,4-dichlorophenyl)-N-methylethanethioamide IUPAC Name: N-[4,4-bis(methylsulfanyl)-2-pyrrolidin-1-ylcyclohexyl]-2-(3,4-dichlorophenyl)-N-methylethanethioamide Traditional Name: N-[4,4-bis(methylthio)-2-pyrrolidino-cyclohexyl]-2-(3,4-dichlorophenyl)-N-methyl-thioacetamide Formula: C21H30Cl2N2S3 MolecularWeight: 477.5773

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1N2CCCC2)(SC)SC)C(=S)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN(C1CCC(CC1N2CCCC2)(SC)SC)C(=S)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H30Cl2N2S3/c1-24(20(26)13-15-6-7-16(22)17(23)12-15)18-8-9-21(27-2,28-3)14-19(18)25-10-4-5-11-25/h6-7,12,18-19H,4-5,8-11,13-14H2,1-3H3