N-(4-bromophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-bromophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C25H22BrN3OS MolecularWeight: 492.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C25H22BrN3OS/c26-21-7-9-22(10-8-21)28-24(30)12-13-31-25-20(16-27)15-19-14-18(6-11-23(19)29-25)17-4-2-1-3-5-17/h1-5,7-10,15,18H,6,11-14H2,(H,28,30)