ethyl 4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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