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

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-methyl-N-(2-methylphenyl)carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-methyl-N-(o-tolyl)carbamothioate CAS Name: N-methyl-N-(2-methylphenyl)carbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-methyl-N-(2-methylphenyl)carbamothioate Traditional Name: N-methyl-N-(o-tolyl)thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N(C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-12-7-3-5-9-14(12)19(2)17(22)25-11-16(21)18-13-8-4-6-10-15(13)20(23)24/h3-10H,11H2,1-2H3,(H,18,21)