methyl 4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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