methyl 4,5-dimethoxy-2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C18H19N3O7S/c1-25-14-7-10(21(23)24)5-6-12(14)19-18(29)20-13-9-16(27-3)15(26-2)8-11(13)17(22)28-4/h5-9H,1-4H3,(H2,19,20,29)