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

Systemtic Name: methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H25ClN4O6S2 MolecularWeight: 577.0722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C25H25ClN4O6S2/c1-5-29(6-2)23(31)21-14(3)20(24(32)35-4)22(38-21)28-25(37)27-16-11-17(30(33)34)13-19(12-16)36-18-9-7-15(26)8-10-18/h7-13H,5-6H2,1-4H3,(H2,27,28,37)