N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-propyl-benzenecarbothioamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-propyl-benzenecarbothioamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-propyl-benzenecarbothioamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2-methoxy-5-nitro-4-propylbenzenecarbothioamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-propylbenzenecarbothioamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-propyl-thiobenzamide Formula: C24H35N3O3S MolecularWeight: 445.618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)OC)C(=S)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(C(=C1)OC)C(=S)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H35N3O3S/c1-3-6-18-13-22(30-2)20(14-21(18)27(28)29)24(31)25-19-11-12-26(15-19)23-16-7-4-8-17(23)10-5-9-16/h13-14,16-17,19,23H,3-12,15H2,1-2H3,(H,25,31)