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

Systemtic Name: N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3OS/c25-17-10-12-18(13-11-17)27-22(29)15-30-24-21(14-26)19-8-4-5-9-20(19)23(28-24)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,15H2,(H,27,29)