O-[[4-(2-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]] N-phenylcarbamothioate

Systemtic Name: O-[[4-(2-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]] N-phenylcarbamothioate Openeye Name: O-[[4-(2-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[[4-(2-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]] ester IUPAC Name: O-[[4-(2-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[[4-(2-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]] ester Formula: C23H18BrN3OS MolecularWeight: 464.37752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)OC(=S)NC3=CC=CC=C3)C#N)C4=CC=CC=C4Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)OC(=S)NC3=CC=CC=C3)C#N)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrN3OS/c24-19-12-6-4-10-16(19)21-17-11-5-7-13-20(17)27-22(18(21)14-25)28-23(29)26-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,26,29)