1,3-bis(3,3-dimethyl-4-oxidanyl-butyl)thiourea

Systemtic Name: 1,3-bis(3,3-dimethyl-4-oxidanyl-butyl)thiourea Openeye Name: 1,3-bis(4-hydroxy-3,3-dimethyl-butyl)thiourea CAS Name: 1,3-bis(4-hydroxy-3,3-dimethylbutyl)thiourea IUPAC Name: 1,3-bis(4-hydroxy-3,3-dimethylbutyl)thiourea Traditional Name: 1,3-bis(4-hydroxy-3,3-dimethyl-butyl)thiourea Formula: C13H28N2O2S MolecularWeight: 276.43862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=S)NCCC(C)(C)CO)CO

Isomeric SMILES

CC(C)(CCNC(=S)NCCC(C)(C)CO)CO

InChI

InChI=1S/C13H28N2O2S/c1-12(2,9-16)5-7-14-11(18)15-8-6-13(3,4)10-17/h16-17H,5-10H2,1-4H3,(H2,14,15,18)