N-(4-bromophenyl)-2,2-bis-(4-methylphenyl)sulfonyl-ethanethioamide

Systemtic Name: N-(4-bromophenyl)-2,2-bis-(4-methylphenyl)sulfonyl-ethanethioamide Openeye Name: N-(4-bromophenyl)-2,2-bis(p-tolylsulfonyl)thioacetamide CAS Name: N-(4-bromophenyl)-2,2-bis-(4-methylphenyl)sulfonylethanethioamide IUPAC Name: N-(4-bromophenyl)-2,2-bis-(4-methylphenyl)sulfonylethanethioamide Traditional Name: N-(4-bromophenyl)-2,2-ditosyl-thioacetamide Formula: C22H20BrNO4S3 MolecularWeight: 538.4975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=S)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=S)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H20BrNO4S3/c1-15-3-11-19(12-4-15)30(25,26)22(21(29)24-18-9-7-17(23)8-10-18)31(27,28)20-13-5-16(2)6-14-20/h3-14,22H,1-2H3,(H,24,29)