5-(1,3-benzothiazol-2-yl)-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-methyl-pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-fluoroanilino)-2-keto-ethyl]-N-methyl-valeramide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22FN3O2S/c1-25(14-19(26)23-16-12-10-15(22)11-13-16)21(27)9-5-4-8-20-24-17-6-2-3-7-18(17)28-20/h2-3,6-7,10-13H,4-5,8-9,14H2,1H3,(H,23,26)