4-(azepan-1-ylsulfonyl)-N-[3-ethyl-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-ethyl-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H23F2N3O3S2 MolecularWeight: 479.563126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23F2N3O3S2/c1-2-27-20-18(24)13-16(23)14-19(20)31-22(27)25-21(28)15-7-9-17(10-8-15)32(29,30)26-11-5-3-4-6-12-26/h7-10,13-14H,2-6,11-12H2,1H3