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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2S2/c1-2-3-4-18(25)23-15-9-10-16-17(11-15)28-20(24-16)27-12-19(26)22-14-7-5-13(21)6-8-14/h5-11H,2-4,12H2,1H3,(H,22,26)(H,23,25)