methyl N'-[(2,4-dichlorophenyl)methyl]-N-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N'-[(2,4-dichlorophenyl)methyl]-N-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-(p-tolylsulfonyl)isothiourea CAS Name: N'-[(2,4-dichlorophenyl)methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(2,4-dichlorophenyl)methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 3-(2,4-dichlorobenzyl)-2-methyl-1-tosyl-isothiourea Formula: C16H16Cl2N2O2S2 MolecularWeight: 403.34644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=C(C=C(C=C2)Cl)Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=C(C=C(C=C2)Cl)Cl)SC

InChI

InChI=1S/C16H16Cl2N2O2S2/c1-11-3-7-14(8-4-11)24(21,22)20-16(23-2)19-10-12-5-6-13(17)9-15(12)18/h3-9H,10H2,1-2H3,(H,19,20)