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

Systemtic Name: N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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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)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H28N2O2S/c1-19(2)32-25-12-8-20(9-13-25)16-26(30)28-24-11-10-21-14-15-29(18-23(21)17-24)27(31)22-6-4-3-5-7-22/h3-13,17,19H,14-16,18H2,1-2H3,(H,28,30)