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

Systemtic Name: methyl 3-chloranyl-6-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(trifluoromethyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H12ClF3N2O2S2 MolecularWeight: 444.87829

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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)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)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3N2O2S2/c1-26-16(25)15-14(19)12-7-6-11(8-13(12)28-15)24-17(27)23-10-4-2-9(3-5-10)18(20,21)22/h2-8H,1H3,(H2,23,24,27)