methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H21ClN4O6S2 MolecularWeight: 549.01904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C23H21ClN4O6S2/c1-12-18(22(30)33-4)20(36-19(12)21(29)27(2)3)26-23(35)25-14-9-15(28(31)32)11-17(10-14)34-16-7-5-13(24)6-8-16/h5-11H,1-4H3,(H2,25,26,35)