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

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)SC(C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)SC(C)C

InChI

InChI=1S/C23H28N2O2S/c1-4-23(27)25-12-11-18-7-8-20(14-19(18)15-25)24-22(26)13-17-5-9-21(10-6-17)28-16(2)3/h5-10,14,16H,4,11-13,15H2,1-3H3,(H,24,26)