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

Systemtic Name: N-[2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide Openeye Name: N-[2-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide CAS Name: N-[2-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]pentanamide IUPAC Name: N-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide Traditional Name: N-[2-[[2-(2-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=CC=C3F

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2S2/c1-2-3-8-18(25)22-13-9-10-16-17(11-13)28-20(24-16)27-12-19(26)23-15-7-5-4-6-14(15)21/h4-7,9-11H,2-3,8,12H2,1H3,(H,22,25)(H,23,26)