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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H25N3O2S/c1-17-8-13-24-19(14-17)15-20(16-27)26(29-24)32-18(2)25(30)28-21-9-11-23(12-10-21)31-22-6-4-3-5-7-22/h3-7,9-12,15,17-18H,8,13-14H2,1-2H3,(H,28,30)