2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-methoxyphenyl)butanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-methoxyphenyl)butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-4-20(21(26)24-17-6-5-7-18(12-17)27-3)28-22-16(13-23)11-15-10-14(2)8-9-19(15)25-22/h5-7,11-12,14,20H,4,8-10H2,1-3H3,(H,24,26)