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

Systemtic Name: ethyl 5-methyl-2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[(4-methyl-3-nitro-benzoyl)amino]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N4O5S2 MolecularWeight: 498.57458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S2/c1-4-32-22(29)19-18(15-8-6-5-7-9-15)14(3)34-21(19)24-23(33)26-25-20(28)16-11-10-13(2)17(12-16)27(30)31/h5-12H,4H2,1-3H3,(H,25,28)(H2,24,26,33)