4-fluoranyl-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-fluoro-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 4-fluoro-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-fluoro-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-1,3-benzothiazol-2-yl]benzamide Traditional Name: 4-fluoro-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-1,3-benzothiazol-2-yl]benzamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCCOCC3)SC(=N2)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCCOCC3)SC(=N2)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S/c1-26-16-8-7-15(24-9-2-11-27-12-10-24)18-17(16)22-20(28-18)23-19(25)13-3-5-14(21)6-4-13/h3-8H,2,9-12H2,1H3,(H,22,23,25)