2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)benzenecarbothioamide

Systemtic Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)benzenecarbothioamide Openeye Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)benzenecarbothioamide CAS Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)benzenecarbothioamide IUPAC Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)benzenecarbothioamide Traditional Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)thiobenzamide Formula: C16H22N2S MolecularWeight: 274.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C3=CC=CC=C3C(=S)N

Isomeric SMILES

C1CCC2CN(CCC2C1)C3=CC=CC=C3C(=S)N

InChI

InChI=1S/C16H22N2S/c17-16(19)14-7-3-4-8-15(14)18-10-9-12-5-1-2-6-13(12)11-18/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H2,17,19)