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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(m-tolyl)acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-16-5-4-6-17(13-16)25-21(28)15-30-23-20(14-24)18-7-2-3-8-19(18)22(26-23)27-9-11-29-12-10-27/h4-6,13H,2-3,7-12,15H2,1H3,(H,25,28)