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

Systemtic Name: 2-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[3-cyano-4-(3-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[3-cyano-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[3-cyano-4-(3-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CN=CC=C4)OC

InChI

InChI=1S/C25H24N4O3S/c1-31-21-10-9-17(12-22(21)32-2)28-23(30)15-33-25-19(13-26)24(16-6-5-11-27-14-16)18-7-3-4-8-20(18)29-25/h5-6,9-12,14H,3-4,7-8,15H2,1-2H3,(H,28,30)