5-[ethyl-(4-methylphenyl)sulfonyl-amino]-N-(2-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[ethyl-(4-methylphenyl)sulfonyl-amino]-N-(2-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[ethyl(p-tolylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-[2-(methylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[ethyl(tosyl)amino]-N-[2-(methylthio)phenyl]benzothiophene-2-carboxamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC=C3SC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC=C3SC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H24N2O3S3/c1-4-27(33(29,30)20-12-9-17(2)10-13-20)19-11-14-22-18(15-19)16-24(32-22)25(28)26-21-7-5-6-8-23(21)31-3/h5-16H,4H2,1-3H3,(H,26,28)