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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-p-phenetyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C21H23N3O2S/c1-3-26-18-10-8-17(9-11-18)23-20(25)14(2)27-21-16(13-22)12-15-6-4-5-7-19(15)24-21/h8-12,14H,3-7H2,1-2H3,(H,23,25)