S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-(2-bromophenyl)-N-methyl-carbamothioate

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-(2-bromophenyl)-N-methyl-carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-(2-bromophenyl)-N-methyl-carbamothioate CAS Name: N-(2-bromophenyl)-N-methylcarbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-(2-bromophenyl)-N-methylcarbamothioate Traditional Name: N-(2-bromophenyl)-N-methyl-thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1Br)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1Br)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN3O4S/c1-19(13-8-4-2-6-11(13)17)16(22)25-10-15(21)18-12-7-3-5-9-14(12)20(23)24/h2-9H,10H2,1H3,(H,18,21)