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

Systemtic Name: N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(4-fluoroanilino)-2-keto-ethyl]-N-methyl-4-(methylthio)-3-nitro-benzamide Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN3O4S/c1-20(10-16(22)19-13-6-4-12(18)5-7-13)17(23)11-3-8-15(26-2)14(9-11)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)