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

Systemtic Name: methyl 5-ethyl-2-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[(3-methyl-4-nitro-benzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[(3-methyl-4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[(3-methyl-4-nitrobenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[(3-methyl-4-nitro-benzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C17H18N4O5S2/c1-4-11-8-12(16(23)26-3)15(28-11)18-17(27)20-19-14(22)10-5-6-13(21(24)25)9(2)7-10/h5-8H,4H2,1-3H3,(H,19,22)(H2,18,20,27)