N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2

InChI

InChI=1S/C22H26N2O2S/c1-15(2)27-21-8-4-17(5-9-21)12-22(26)23-20-7-6-18-10-11-24(16(3)25)14-19(18)13-20/h4-9,13,15H,10-12,14H2,1-3H3,(H,23,26)