N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-benzenecarbothioamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-benzenecarbothioamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-benzenecarbothioamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2-methoxy-4-methylbenzenecarbothioamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methylbenzenecarbothioamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-thiobenzamide Formula: C22H32N2OS MolecularWeight: 372.56728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=S)NC2CCN(C2)C3C4CCCC3CCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(=S)NC2CCN(C2)C3C4CCCC3CCC4)OC

InChI

InChI=1S/C22H32N2OS/c1-15-9-10-19(20(13-15)25-2)22(26)23-18-11-12-24(14-18)21-16-5-3-6-17(21)8-4-7-16/h9-10,13,16-18,21H,3-8,11-12,14H2,1-2H3,(H,23,26)