1-tert-butyl-3-(1-oxidanyl-3-pyridin-3-yl-propan-2-yl)thiourea

Systemtic Name: 1-tert-butyl-3-(1-oxidanyl-3-pyridin-3-yl-propan-2-yl)thiourea Openeye Name: 1-tert-butyl-3-[1-(hydroxymethyl)-2-(3-pyridyl)ethyl]thiourea CAS Name: 1-tert-butyl-3-[1-hydroxy-3-(3-pyridinyl)propan-2-yl]thiourea IUPAC Name: 1-tert-butyl-3-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)thiourea Traditional Name: 1-tert-butyl-3-[1-methylol-2-(3-pyridyl)ethyl]thiourea Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(CC1=CN=CC=C1)CO

Isomeric SMILES

CC(C)(C)NC(=S)NC(CC1=CN=CC=C1)CO

InChI

InChI=1S/C13H21N3OS/c1-13(2,3)16-12(18)15-11(9-17)7-10-5-4-6-14-8-10/h4-6,8,11,17H,7,9H2,1-3H3,(H2,15,16,18)