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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCCC4

InChI

InChI=1S/C24H26N4O2S/c1-16(29)17-8-10-18(11-9-17)26-22(30)15-31-24-21(14-25)19-6-2-3-7-20(19)23(27-24)28-12-4-5-13-28/h8-11H,2-7,12-13,15H2,1H3,(H,26,30)