2-fluoranyl-N-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-fluoro-N-[2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-fluoro-N-[2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-fluoro-N-[2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-fluoro-N-[2-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H15FN4O4S2 MolecularWeight: 482.507303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H15FN4O4S2/c23-17-4-2-1-3-16(17)21(29)25-14-7-10-18-19(11-14)33-22(26-18)32-12-20(28)24-13-5-8-15(9-6-13)27(30)31/h1-11H,12H2,(H,24,28)(H,25,29)