3-methylsulfonyl-N-[[4-(trifluoromethyloxy)phenyl]carbamothioyl]-6,7-dihydro-2-benzothiophene-1-carboxamide

Systemtic Name: 3-methylsulfonyl-N-[[4-(trifluoromethyloxy)phenyl]carbamothioyl]-6,7-dihydro-2-benzothiophene-1-carboxamide Openeye Name: 3-methylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-6,7-dihydro-2-benzothiophene-1-carboxamide CAS Name: 3-methylsulfonyl-N-[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]-6,7-dihydro-2-benzothiophene-1-carboxamide IUPAC Name: 3-methylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-6,7-dihydro-2-benzothiophene-1-carboxamide Traditional Name: 3-mesyl-N-[[4-(trifluoromethoxy)phenyl]thiocarbamoyl]-6,7-dihydroisobenzothiophene-1-carboxamide Formula: C18H15F3N2O4S3 MolecularWeight: 476.51291

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h3,5-9H,2,4H2,1H3,(H2,22,23,24,28)