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

Systemtic Name: N-(3-methylsulfanylphenyl)-7-(pyridin-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-(methylthio)phenyl]-7-[[oxo(2-pyridinyl)methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-7-picolinamido-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(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

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