N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2,4-dimethoxy-5-methyl-benzenecarbothioamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2,4-dimethoxy-5-methyl-benzenecarbothioamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2,4-dimethoxy-5-methyl-benzenecarbothioamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2,4-dimethoxy-5-methylbenzenecarbothioamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2,4-dimethoxy-5-methylbenzenecarbothioamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2,4-dimethoxy-5-methyl-thiobenzamide Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O2S/c1-15-12-19(21(27-3)13-20(15)26-2)23(28)24-18-10-11-25(14-18)22-16-6-4-7-17(22)9-5-8-16/h12-13,16-18,22H,4-11,14H2,1-3H3,(H,24,28)