methyl 3-chloranyl-6-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H15Cl2N3O5S2 MolecularWeight: 548.4183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H15Cl2N3O5S2/c1-32-22(29)21-20(25)18-7-4-13(10-19(18)35-21)26-23(34)27-14-8-15(28(30)31)11-17(9-14)33-16-5-2-12(24)3-6-16/h2-11H,1H3,(H2,26,27,34)