N-(2-methylsulfanylphenyl)-7-(pyridin-4-ylcarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-7-(pyridin-4-ylcarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-(2-methylsulfanylphenyl)-7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(methylthio)phenyl]-7-[[oxo(pyridin-4-yl)methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(2-methylsulfanylphenyl)-7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 7-isonicotinamido-N-[2-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4O2S/c1-30-21-5-3-2-4-20(21)26-23(29)27-13-10-16-6-7-19(14-18(16)15-27)25-22(28)17-8-11-24-12-9-17/h2-9,11-12,14H,10,13,15H2,1H3,(H,25,28)(H,26,29)