2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,4-dimethoxyphenyl)butanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,4-dimethoxyphenyl)butyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C22H25N3O3S/c1-4-20(21(26)24-18-10-9-16(27-2)12-19(18)28-3)29-22-15(13-23)11-14-7-5-6-8-17(14)25-22/h9-12,20H,4-8H2,1-3H3,(H,24,26)