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

Systemtic Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,4-dimethoxyphenyl)propionamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)OC

InChI

InChI=1S/C27H27N3O3S/c1-32-22-9-11-24(25(16-22)33-2)29-26(31)12-13-34-27-21(17-28)15-20-14-19(8-10-23(20)30-27)18-6-4-3-5-7-18/h3-7,9,11,15-16,19H,8,10,12-14H2,1-2H3,(H,29,31)