ethyl 4-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(3-methyl-4-nitro-benzoyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methyl-4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-methyl-4-nitrobenzoyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-methyl-4-nitro-benzoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-27-17(24)12-4-7-14(8-5-12)19-18(28)21-20-16(23)13-6-9-15(22(25)26)11(2)10-13/h4-10H,3H2,1-2H3,(H,20,23)(H2,19,21,28)