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

Systemtic Name: 4-bromanyl-N-(3,3-diethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide Openeye Name: 4-bromo-N-(3,3-diethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide CAS Name: 4-bromo-N-[3,3-diethoxy-2-(1-pyrrolidinyl)cyclohexyl]-N-methylbenzenecarbothioamide IUPAC Name: 4-bromo-N-(3,3-diethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylbenzenecarbothioamide Traditional Name: 4-bromo-N-(3,3-diethoxy-2-pyrrolidino-cyclohexyl)-N-methyl-thiobenzamide Formula: C22H33BrN2O2S MolecularWeight: 469.47862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCCC(C1N2CCCC2)N(C)C(=S)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCOC1(CCCC(C1N2CCCC2)N(C)C(=S)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C22H33BrN2O2S/c1-4-26-22(27-5-2)14-8-9-19(20(22)25-15-6-7-16-25)24(3)21(28)17-10-12-18(23)13-11-17/h10-13,19-20H,4-9,14-16H2,1-3H3