1-tert-butyl-3-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-tert-butyl-3-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-tert-butyl-3-[2-hydroxy-1-(3-nitrophenyl)ethyl]thiourea CAS Name: 1-tert-butyl-3-[2-hydroxy-1-(3-nitrophenyl)ethyl]thiourea IUPAC Name: 1-tert-butyl-3-[2-hydroxy-1-(3-nitrophenyl)ethyl]thiourea Traditional Name: 1-tert-butyl-3-[2-hydroxy-1-(3-nitrophenyl)ethyl]thiourea Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-13(2,3)15-12(20)14-11(8-17)9-5-4-6-10(7-9)16(18)19/h4-7,11,17H,8H2,1-3H3,(H2,14,15,20)