ethyl 3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3,4-dimethylphenyl)thiocarbamoylamino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NC2=CC(=C(C=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NC2=CC(=C(C=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-4-28-18(25)14-8-13(9-16(10-14)23(26)27)17(24)21-22-19(29)20-15-6-5-11(2)12(3)7-15/h5-10H,4H2,1-3H3,(H,21,24)(H2,20,22,29)