diethyl 3-methyl-5-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-phenylazophenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-phenylazophenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H24N4O4S2 MolecularWeight: 496.60176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C24H24N4O4S2/c1-4-31-22(29)19-15(3)20(23(30)32-5-2)34-21(19)26-24(33)25-16-11-13-18(14-12-16)28-27-17-9-7-6-8-10-17/h6-14H,4-5H2,1-3H3,(H2,25,26,33)