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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(o-tolyl)acetamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCCC4

InChI

InChI=1S/C23H26N4OS/c1-16-8-2-5-11-20(16)25-21(28)15-29-23-19(14-24)17-9-3-4-10-18(17)22(26-23)27-12-6-7-13-27/h2,5,8,11H,3-4,6-7,9-10,12-13,15H2,1H3,(H,25,28)