7-[2-(2-fluorophenyl)ethanoylamino]-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 7-[2-(2-fluorophenyl)ethanoylamino]-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 7-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 7-[[2-(2-fluorophenyl)-1-oxoethyl]amino]-N-[3-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 7-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 7-[[2-(2-fluorophenyl)acetyl]amino]-N-[3-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C25H24FN3O2S MolecularWeight: 449.540363

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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)CC4=CC=CC=C4F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC4=CC=CC=C4F

InChI

InChI=1S/C25H24FN3O2S/c1-32-22-7-4-6-20(15-22)28-25(31)29-12-11-17-9-10-21(13-19(17)16-29)27-24(30)14-18-5-2-3-8-23(18)26/h2-10,13,15H,11-12,14,16H2,1H3,(H,27,30)(H,28,31)