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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S2/c1-12-13(2)30-19(18(12)20(25)28-3)23-21(29)22-15-10-8-14(9-11-15)16-6-4-5-7-17(16)24(26)27/h4-11H,1-3H3,(H2,22,23,29)