N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-butanamide Openeye Name: N-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-butanamide CAS Name: N-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-methylbutanamide IUPAC Name: N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbutanamide Traditional Name: N-[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-butyramide Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2S2/c1-12(2)9-18(25)23-15-7-8-16-17(10-15)28-20(24-16)27-11-19(26)22-14-5-3-13(21)4-6-14/h3-8,10,12H,9,11H2,1-2H3,(H,22,26)(H,23,25)