2-[2,4-bis(fluoranyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)isoquinoline-4-carboxamide Formula: C24H15F2N3O3S MolecularWeight: 463.456006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C24H15F2N3O3S/c1-32-14-7-8-19-21(11-14)33-24(27-19)28-22(30)17-12-29(20-9-6-13(25)10-18(20)26)23(31)16-5-3-2-4-15(16)17/h2-12H,1H3,(H,27,28,30)