4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H20FN3O3S2 MolecularWeight: 505.583703

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)F

InChI

InChI=1S/C26H20FN3O3S2/c1-2-15-30-24-22(27)8-5-9-23(24)34-26(30)28-25(31)19-10-12-21(13-11-19)35(32,33)29-16-14-18-6-3-4-7-20(18)17-29/h1,3-13H,14-17H2