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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-p-phenetyl-acetamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

InChI

InChI=1S/C24H28N4O3S/c1-2-31-18-9-7-17(8-10-18)26-22(29)16-32-24-21(15-25)19-5-3-4-6-20(19)23(27-24)28-11-13-30-14-12-28/h7-10H,2-6,11-14,16H2,1H3,(H,26,29)