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

Systemtic Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)benzenecarbothioamide Openeye Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)benzenecarbothioamide CAS Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)benzenecarbothioamide IUPAC Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)benzenecarbothioamide Traditional Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiobenzamide Formula: C17H24N2S MolecularWeight: 288.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)CC3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1CCC2CN(CCC2C1)CC3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C17H24N2S/c18-17(20)15-7-5-13(6-8-15)11-19-10-9-14-3-1-2-4-16(14)12-19/h5-8,14,16H,1-4,9-12H2,(H2,18,20)