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

Systemtic Name: 3-(4-methylphenyl)-N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propanamide CAS Name: 3-(4-methylphenyl)-N-[2-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: N-[2-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propionamide Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS/c1-18-4-6-19(7-5-18)8-11-23(26)24-22-10-9-20-12-14-25(13-3-15-27-2)17-21(20)16-22/h4-7,9-10,16H,3,8,11-15,17H2,1-2H3,(H,24,26)