N-[bis(azanyl)methylidene]-4-[2,3-bis(oxidanyl)propyl]-3-methylsulfonyl-benzenecarbothioamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[2,3-bis(oxidanyl)propyl]-3-methylsulfonyl-benzenecarbothioamide Openeye Name: N-(diaminomethylene)-4-(2,3-dihydroxypropyl)-3-methylsulfonyl-benzenecarbothioamide CAS Name: N-(diaminomethylidene)-4-(2,3-dihydroxypropyl)-3-methylsulfonylbenzenecarbothioamide IUPAC Name: N-(diaminomethylidene)-4-(2,3-dihydroxypropyl)-3-methylsulfonylbenzenecarbothioamide Traditional Name: N-(diaminomethylene)-4-glyceryl-3-mesyl-thiobenzamide Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S2/c1-21(18,19)10-5-8(11(20)15-12(13)14)3-2-7(10)4-9(17)6-16/h2-3,5,9,16-17H,4,6H2,1H3,(H4,13,14,15,20)