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

Systemtic Name: 3-(4-methylphenyl)-N-[2-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-(p-tolyl)-N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-(4-methylphenyl)-N-[2-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-(p-tolyl)-N-[2-[2-(2-pyrimidylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)CSC4=NC=CC=N4)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)CSC4=NC=CC=N4)C=C2

InChI

InChI=1S/C25H26N4O2S/c1-18-3-5-19(6-4-18)7-10-23(30)28-22-9-8-20-11-14-29(16-21(20)15-22)24(31)17-32-25-26-12-2-13-27-25/h2-6,8-9,12-13,15H,7,10-11,14,16-17H2,1H3,(H,28,30)