N-[5-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoro-benzamide CAS Name: N-[5-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-2-methoxyphenyl]-3-fluorobenzamide IUPAC Name: N-[5-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide Traditional Name: N-[5-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoro-benzamide Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H20FN3O3S/c1-31-20-10-9-17(14-19(20)28-24(30)15-5-4-6-16(25)13-15)26-22(29)11-12-23-27-18-7-2-3-8-21(18)32-23/h2-10,13-14H,11-12H2,1H3,(H,26,29)(H,28,30)