N-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide Openeye Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(4-methylphenyl)thio]phenyl]acetamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methylphenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC(=O)C

InChI

InChI=1S/C25H24N2O2S/c1-17-7-10-22(11-8-17)30-24-12-9-20(15-23(24)26-18(2)28)25(29)27-14-13-19-5-3-4-6-21(19)16-27/h3-12,15H,13-14,16H2,1-2H3,(H,26,28)