S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-(3-fluoranyl-2-methyl-phenyl)-N-methyl-carbamothioate

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-(3-fluoranyl-2-methyl-phenyl)-N-methyl-carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-(3-fluoro-2-methyl-phenyl)-N-methyl-carbamothioate CAS Name: N-(3-fluoro-2-methylphenyl)-N-methylcarbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-(3-fluoro-2-methylphenyl)-N-methylcarbamothioate Traditional Name: N-(3-fluoro-2-methyl-phenyl)-N-methyl-thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)N(C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1F)N(C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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