N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C20H20BrN3OS/c1-2-18-16-6-4-3-5-15(16)17(11-22)20(24-18)26-12-19(25)23-14-9-7-13(21)8-10-14/h7-10H,2-6,12H2,1H3,(H,23,25)