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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

InChI

InChI=1S/C28H29N3OS/c1-4-20-12-8-9-18(2)26(20)31-27(32)19(3)33-28-24(17-29)16-23-15-22(13-14-25(23)30-28)21-10-6-5-7-11-21/h5-12,16,19,22H,4,13-15H2,1-3H3,(H,31,32)