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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20FN3O2S2/c1-24(13-18(25)22-15-7-4-6-14(21)12-15)19(26)10-5-11-27-20-23-16-8-2-3-9-17(16)28-20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,25)