methyl N-(2,5-dimethoxyphenyl)sulfonyl-N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: methyl N-(2,5-dimethoxyphenyl)sulfonyl-N'-(2-methylpropyl)carbamimidothioate Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-3-isobutyl-2-methyl-isothiourea CAS Name: N-(2,5-dimethoxyphenyl)sulfonyl-N'-(2-methylpropyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(2,5-dimethoxyphenyl)sulfonyl-N'-(2-methylpropyl)carbamimidothioate Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-3-isobutyl-2-methyl-isothiourea Formula: C14H22N2O4S2 MolecularWeight: 346.46548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(NS(=O)(=O)C1=C(C=CC(=C1)OC)OC)SC

Isomeric SMILES

CC(C)CN=C(NS(=O)(=O)C1=C(C=CC(=C1)OC)OC)SC

InChI

InChI=1S/C14H22N2O4S2/c1-10(2)9-15-14(21-5)16-22(17,18)13-8-11(19-3)6-7-12(13)20-4/h6-8,10H,9H2,1-5H3,(H,15,16)