[4-methyl-2-oxidanyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl] carbamimidothioate

Systemtic Name: [4-methyl-2-oxidanyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl] carbamimidothioate Openeye Name: 2-[2-hydroxy-4-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]isothiourea CAS Name: carbamimidothioic acid [2-hydroxy-4-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [2-hydroxy-4-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl] carbamimidothioate Traditional Name: 2-[2-hydroxy-5-(mesitylsulfonylamino)-4-methyl-phenyl]isothiourea Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=C(C=C2C)O)SC(=N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=C(C=C2C)O)SC(=N)N)C

InChI

InChI=1S/C17H21N3O3S2/c1-9-5-11(3)16(12(4)6-9)25(22,23)20-13-8-15(24-17(18)19)14(21)7-10(13)2/h5-8,20-21H,1-4H3,(H3,18,19)