dimethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H19N3O6S2/c1-12-17(20(26)30-2)19(33-18(12)21(27)31-3)24-22(32)23-14-10-8-13(9-11-14)15-6-4-5-7-16(15)25(28)29/h4-11H,1-3H3,(H2,23,24,32)