3-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide

Systemtic Name: 3-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide Openeye Name: 3-[methyl(p-tolylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide CAS Name: 3-[methyl-(4-methylphenyl)sulfonylamino]-N-[[4-(methylthio)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-3-[methyl(tosyl)amino]thiophene-2-carboxamide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(SC=C2)C(=O)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(SC=C2)C(=O)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O3S3/c1-15-4-10-18(11-5-15)29(25,26)23(2)19-12-13-28-20(19)21(24)22-14-16-6-8-17(27-3)9-7-16/h4-13H,14H2,1-3H3,(H,22,24)