S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-(2-bromanyl-4-methyl-phenyl)-N-methyl-carbamothioate

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-(2-bromanyl-4-methyl-phenyl)-N-methyl-carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-(2-bromo-4-methyl-phenyl)-N-methyl-carbamothioate CAS Name: N-(2-bromo-4-methylphenyl)-N-methylcarbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-(2-bromo-4-methylphenyl)-N-methylcarbamothioate Traditional Name: N-(2-bromo-4-methyl-phenyl)-N-methyl-thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN3O4S/c1-11-7-8-14(12(18)9-11)20(2)17(23)26-10-16(22)19-13-5-3-4-6-15(13)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)