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

Systemtic Name: N-(2-bromophenyl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(2-bromophenyl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(2-bromophenyl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(2-bromophenyl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(2-bromophenyl)-2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C23H26BrN3OS MolecularWeight: 472.44104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Br)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C23H26BrN3OS/c1-14(21(28)26-20-8-6-5-7-18(20)24)29-22-16(13-25)11-15-12-17(23(2,3)4)9-10-19(15)27-22/h5-8,11,14,17H,9-10,12H2,1-4H3,(H,26,28)