dimethyl 5-[(2-methyl-3-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-methyl-3-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-methyl-3-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-methyl-3-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H17N3O6S/c1-10-14(5-4-6-15(10)21(24)25)20-18(28)19-13-8-11(16(22)26-2)7-12(9-13)17(23)27-3/h4-9H,1-3H3,(H2,19,20,28)