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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenyl-acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C22H24N4OS/c23-14-19-17-10-4-5-11-18(17)21(26-12-6-7-13-26)25-22(19)28-15-20(27)24-16-8-2-1-3-9-16/h1-3,8-9H,4-7,10-13,15H2,(H,24,27)