methyl N-(4-acetamidophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-(4-acetamidophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: N-[4-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylsulfanyl-carbonimidoyl]sulfamoyl]phenyl]acetamide CAS Name: N-(4-acetamidophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-acetamidophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: N-[4-[[N-homoveratryl-C-(methylthio)carbonimidoyl]sulfamoyl]phenyl]acetamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)SC

InChI

InChI=1S/C20H25N3O5S2/c1-14(24)22-16-6-8-17(9-7-16)30(25,26)23-20(29-4)21-12-11-15-5-10-18(27-2)19(13-15)28-3/h5-10,13H,11-12H2,1-4H3,(H,21,23)(H,22,24)