ethyl 2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-methyl-3-nitro-benzoyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S2/c1-3-31-21(28)16-12-18(14-7-5-4-6-8-14)33-20(16)23-22(32)25-24-19(27)15-10-9-13(2)17(11-15)26(29)30/h4-12H,3H2,1-2H3,(H,24,27)(H2,23,25,32)