4-[2,3-bis(oxidanyl)propyl]-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzenecarbothioamide

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzenecarbothioamide Openeye Name: 4-(2,3-dihydroxypropyl)-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzenecarbothioamide CAS Name: N-[(E)-amino(methylsulfonylimino)methyl]-4-(2,3-dihydroxypropyl)benzenecarbothioamide IUPAC Name: 4-(2,3-dihydroxypropyl)-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzenecarbothioamide Traditional Name: 4-glyceryl-N-[(E)-N'-mesylamidino]thiobenzamide Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(N)NC(=S)C1=CC=C(C=C1)CC(CO)O

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/NC(=S)C1=CC=C(C=C1)CC(CO)O

InChI

InChI=1S/C12H17N3O4S2/c1-21(18,19)15-12(13)14-11(20)9-4-2-8(3-5-9)6-10(17)7-16/h2-5,10,16-17H,6-7H2,1H3,(H3,13,14,15,20)