N-[3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(4-fluoroanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FN3O4S/c22-15-7-9-16(10-8-15)23-20(26)13-30-19-6-2-4-17(12-19)24-21(27)14-3-1-5-18(11-14)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)