dimethyl 5-[(4-nitrophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-nitrophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-nitrobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-nitrobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-nitrobenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O7S/c1-27-16(23)11-7-12(17(24)28-2)9-13(8-11)19-18(29)20-15(22)10-3-5-14(6-4-10)21(25)26/h3-9H,1-2H3,(H2,19,20,22,29)