4-bromanyl-N-(3,3-dimethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide

Systemtic Name: 4-bromanyl-N-(3,3-dimethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide Openeye Name: 4-bromo-N-(3,3-dimethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide CAS Name: 4-bromo-N-[3,3-dimethoxy-2-(1-pyrrolidinyl)cyclohexyl]-N-methylbenzenecarbothioamide IUPAC Name: 4-bromo-N-(3,3-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylbenzenecarbothioamide Traditional Name: 4-bromo-N-(3,3-dimethoxy-2-pyrrolidino-cyclohexyl)-N-methyl-thiobenzamide Formula: C20H29BrN2O2S MolecularWeight: 441.42546

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC(C1N2CCCC2)(OC)OC)C(=S)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C1CCCC(C1N2CCCC2)(OC)OC)C(=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H29BrN2O2S/c1-22(19(26)15-8-10-16(21)11-9-15)17-7-6-12-20(24-2,25-3)18(17)23-13-4-5-14-23/h8-11,17-18H,4-7,12-14H2,1-3H3