4-bromanyl-N-(5,5-diethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide

Systemtic Name: 4-bromanyl-N-(5,5-diethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide Openeye Name: 4-bromo-N-(5,5-diethoxy-2-pyrrolidin-1-yl-cyclohexyl)-N-methyl-benzenecarbothioamide CAS Name: 4-bromo-N-[5,5-diethoxy-2-(1-pyrrolidinyl)cyclohexyl]-N-methylbenzenecarbothioamide IUPAC Name: 4-bromo-N-(5,5-diethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylbenzenecarbothioamide Traditional Name: 4-bromo-N-(5,5-diethoxy-2-pyrrolidino-cyclohexyl)-N-methyl-thiobenzamide Formula: C22H33BrN2O2S MolecularWeight: 469.47862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCC(C(C1)N(C)C(=S)C2=CC=C(C=C2)Br)N3CCCC3)OCC

Isomeric SMILES

CCOC1(CCC(C(C1)N(C)C(=S)C2=CC=C(C=C2)Br)N3CCCC3)OCC

InChI

InChI=1S/C22H33BrN2O2S/c1-4-26-22(27-5-2)13-12-19(25-14-6-7-15-25)20(16-22)24(3)21(28)17-8-10-18(23)11-9-17/h8-11,19-20H,4-7,12-16H2,1-3H3