3-(4-methylphenyl)-N-[2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-(4-methylphenyl)-N-[2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propanamide CAS Name: 3-(4-methylphenyl)-N-[2-[2-(methylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: N-[2-[2-(methylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propionamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)CSC)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)CSC)C=C2

InChI

InChI=1S/C22H26N2O2S/c1-16-3-5-17(6-4-16)7-10-21(25)23-20-9-8-18-11-12-24(14-19(18)13-20)22(26)15-27-2/h3-6,8-9,13H,7,10-12,14-15H2,1-2H3,(H,23,25)