1-tert-butyl-3-[(2R)-1-(1-oxidanidylpyridin-1-ium-4-yl)-3-oxidanyl-propan-2-yl]thiourea

Systemtic Name: 1-tert-butyl-3-[(2R)-1-(1-oxidanidylpyridin-1-ium-4-yl)-3-oxidanyl-propan-2-yl]thiourea Openeye Name: 1-tert-butyl-3-[(1R)-1-(hydroxymethyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]thiourea CAS Name: 1-tert-butyl-3-[(2R)-1-hydroxy-3-(1-oxido-4-pyridin-1-iumyl)propan-2-yl]thiourea IUPAC Name: 1-tert-butyl-3-[(2R)-1-hydroxy-3-(1-oxidopyridin-1-ium-4-yl)propan-2-yl]thiourea Traditional Name: 1-tert-butyl-3-[(1R)-1-methylol-2-(1-oxidopyridin-1-ium-4-yl)ethyl]thiourea Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(CC1=CC=[N+](C=C1)[O-])CO

Isomeric SMILES

CC(C)(C)NC(=S)N[C@H](CC1=CC=[N+](C=C1)[O-])CO

InChI

InChI=1S/C13H21N3O2S/c1-13(2,3)15-12(19)14-11(9-17)8-10-4-6-16(18)7-5-10/h4-7,11,17H,8-9H2,1-3H3,(H2,14,15,19)/t11-/m1/s1