S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-methyl-N-(2,4,6-trimethylphenyl)carbamothioate

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-methyl-N-(2,4,6-trimethylphenyl)carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-methyl-N-(2,4,6-trimethylphenyl)carbamothioate CAS Name: N-methyl-N-(2,4,6-trimethylphenyl)carbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-methyl-N-(2,4,6-trimethylphenyl)carbamothioate Traditional Name: N-mesityl-N-methyl-thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-12-9-13(2)18(14(3)10-12)21(4)19(24)27-11-17(23)20-15-7-5-6-8-16(15)22(25)26/h5-10H,11H2,1-4H3,(H,20,23)