2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloranyl-4-methoxy-phenyl)butanamide

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloranyl-4-methoxy-phenyl)butanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)butanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-chloro-4-methoxyphenyl)butanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)butanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-chloro-4-methoxy-phenyl)butyramide Formula: C25H30ClN3O2S MolecularWeight: 472.0426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C25H30ClN3O2S/c1-6-22(23(30)28-18-8-10-21(31-5)19(26)13-18)32-24-16(14-27)11-15-12-17(25(2,3)4)7-9-20(15)29-24/h8,10-11,13,17,22H,6-7,9,12H2,1-5H3,(H,28,30)