ethyl 4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-3-26-17(23)12-7-9-13(10-8-12)19-18(27)20-16(22)14-5-4-6-15(11(14)2)21(24)25/h4-10H,3H2,1-2H3,(H2,19,20,22,27)