2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-ethoxyphenyl)ethanamide

Systemtic Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-ethoxyphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide CAS Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide Traditional Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-m-phenetyl-acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C

InChI

InChI=1S/C21H23N3O2S/c1-3-26-16-8-6-7-15(11-16)24-20(25)13-27-21-19(12-22)18-10-5-4-9-17(18)14(2)23-21/h6-8,11H,3-5,9-10,13H2,1-2H3,(H,24,25)