N-[2,4-bis(fluoranyl)phenyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(2,4-difluorophenyl)-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(2,4-difluorophenyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(2,4-difluorophenyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(2,4-difluorophenyl)-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C21H16F2N2O2S MolecularWeight: 398.425746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CS4

InChI

InChI=1S/C21H16F2N2O2S/c1-25-19(17-7-4-10-28-17)18(13-5-2-3-6-14(13)21(25)27)20(26)24-16-9-8-12(22)11-15(16)23/h2-11,18-19H,1H3,(H,24,26)