[3-methyl-5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-phenyl] carbamimidothioate hydrochloride

Systemtic Name: [3-methyl-5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-phenyl] carbamimidothioate hydrochloride Openeye Name: 2-[2-hydroxy-3-methyl-5-(p-tolylsulfonylamino)phenyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [2-hydroxy-3-methyl-5-[(4-methylphenyl)sulfonylamino]phenyl] ester hydrochloride IUPAC Name: [2-hydroxy-3-methyl-5-[(4-methylphenyl)sulfonylamino]phenyl] carbamimidothioate hydrochloride Traditional Name: 2-[2-hydroxy-3-methyl-5-(tosylamino)phenyl]isothiourea hydrochloride Formula: C15H18ClN3O3S2 MolecularWeight: 387.90472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)SC(=N)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)SC(=N)N.Cl

InChI

InChI=1S/C15H17N3O3S2.ClH/c1-9-3-5-12(6-4-9)23(20,21)18-11-7-10(2)14(19)13(8-11)22-15(16)17;/h3-8,18-19H,1-2H3,(H3,16,17);1H