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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H22FN3O3S2 MolecularWeight: 471.567483

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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)N4CCCCCC4)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

InChI

InChI=1S/C23H22FN3O3S2/c1-2-14-27-21-19(24)8-7-9-20(21)31-23(27)25-22(28)17-10-12-18(13-11-17)32(29,30)26-15-5-3-4-6-16-26/h1,7-13H,3-6,14-16H2