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

Systemtic Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H31N3O2S/c1-29(2,3)22-9-14-26-20(18-22)17-21(19-30)28(32-26)35-16-15-27(33)31-23-10-12-25(13-11-23)34-24-7-5-4-6-8-24/h4-8,10-13,17,22H,9,14-16,18H2,1-3H3,(H,31,33)