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

Systemtic Name: methyl 3-chloranyl-6-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H11Cl2F3N2O2S2 MolecularWeight: 479.32335

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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(=C(C=C3)Cl)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl

InChI

InChI=1S/C18H11Cl2F3N2O2S2/c1-27-16(26)15-14(20)10-4-2-9(7-13(10)29-15)25-17(28)24-8-3-5-12(19)11(6-8)18(21,22)23/h2-7H,1H3,(H2,24,25,28)