4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C26H24FN3O4S2 MolecularWeight: 525.614863

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)F

Isomeric SMILES

COCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)F

InChI

InChI=1S/C26H24FN3O4S2/c1-34-16-15-30-24-22(27)7-4-8-23(24)35-26(30)28-25(31)19-9-11-21(12-10-19)36(32,33)29-14-13-18-5-2-3-6-20(18)17-29/h2-12H,13-17H2,1H3