methyl N-(4-acetamidophenyl)sulfonyl-N'-[(2-chlorophenyl)methyl]carbamimidothioate

Systemtic Name: methyl N-(4-acetamidophenyl)sulfonyl-N'-[(2-chlorophenyl)methyl]carbamimidothioate Openeye Name: N-[4-[[N-[(2-chlorophenyl)methyl]-C-methylsulfanyl-carbonimidoyl]sulfamoyl]phenyl]acetamide CAS Name: N-(4-acetamidophenyl)sulfonyl-N'-[(2-chlorophenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-acetamidophenyl)sulfonyl-N'-[(2-chlorophenyl)methyl]carbamimidothioate Traditional Name: N-[4-[[N-(2-chlorobenzyl)-C-(methylthio)carbonimidoyl]sulfamoyl]phenyl]acetamide Formula: C17H18ClN3O3S2 MolecularWeight: 411.92612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2Cl)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2Cl)SC

InChI

InChI=1S/C17H18ClN3O3S2/c1-12(22)20-14-7-9-15(10-8-14)26(23,24)21-17(25-2)19-11-13-5-3-4-6-16(13)18/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)