3-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-1-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C5=CC=C(C=C5)F

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN3O4S/c1-34-14-13-31-24(16-7-9-17(28)10-8-16)23(19-5-3-4-6-20(19)26(31)33)25(32)30-27-29-21-12-11-18(35-2)15-22(21)36-27/h3-12,15,23-24H,13-14H2,1-2H3,(H,29,30,32)