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

Systemtic Name: 1-tert-butyl-3-[1-(3-nitrophenyl)-3-oxidanyl-propan-2-yl]thiourea Openeye Name: 1-tert-butyl-3-[1-(hydroxymethyl)-2-(3-nitrophenyl)ethyl]thiourea CAS Name: 1-tert-butyl-3-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]thiourea IUPAC Name: 1-tert-butyl-3-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]thiourea Traditional Name: 1-tert-butyl-3-[1-methylol-2-(3-nitrophenyl)ethyl]thiourea Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-14(2,3)16-13(21)15-11(9-18)7-10-5-4-6-12(8-10)17(19)20/h4-6,8,11,18H,7,9H2,1-3H3,(H2,15,16,21)