N-[2-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoro-benzamide CAS Name: N-[2-[[1-(4-ethoxyanilino)-1-oxopropan-2-yl]thio]-1,3-benzothiazol-6-yl]-2-fluorobenzamide IUPAC Name: N-[2-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[2-[[2-keto-1-methyl-2-(p-phenetidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H22FN3O3S2/c1-3-32-18-11-8-16(9-12-18)27-23(30)15(2)33-25-29-21-13-10-17(14-22(21)34-25)28-24(31)19-6-4-5-7-20(19)26/h4-15H,3H2,1-2H3,(H,27,30)(H,28,31)