S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-[2,5-bis(fluoranyl)phenyl]-N-methyl-carbamothioate

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-[2,5-bis(fluoranyl)phenyl]-N-methyl-carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-(2,5-difluorophenyl)-N-methyl-carbamothioate CAS Name: N-(2,5-difluorophenyl)-N-methylcarbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-(2,5-difluorophenyl)-N-methylcarbamothioate Traditional Name: N-(2,5-difluorophenyl)-N-methyl-thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C16H13F2N3O4S MolecularWeight: 381.353926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F2N3O4S/c1-20(14-8-10(17)6-7-11(14)18)16(23)26-9-15(22)19-12-4-2-3-5-13(12)21(24)25/h2-8H,9H2,1H3,(H,19,22)