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

Systemtic Name: 3-(4-methylphenyl)-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propanamide CAS Name: 3-(4-methylphenyl)-N-[2-[3-(methylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: N-[2-[3-(methylthio)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propionamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2S/c1-17-3-5-18(6-4-17)7-10-22(26)24-21-9-8-19-11-13-25(16-20(19)15-21)23(27)12-14-28-2/h3-6,8-9,15H,7,10-14,16H2,1-2H3,(H,24,26)