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

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,5-dimethoxyphenyl)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-17-10-16(11-18(12-17)27-2)23-20(25)7-8-28-21-15(13-22)9-14-5-3-4-6-19(14)24-21/h9-12H,3-8H2,1-2H3,(H,23,25)