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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H22FN3O3S MolecularWeight: 475.534583

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O3S/c1-33-15-14-30-23(16-10-12-17(27)13-11-16)22(18-6-2-3-7-19(18)25(30)32)24(31)29-26-28-20-8-4-5-9-21(20)34-26/h2-13,22-23H,14-15H2,1H3,(H,28,29,31)