3-[3,5-bis(hydroxymethyl)-2-methyl-4-oxidanyl-phenyl]-1,1-dimethyl-thiourea

Systemtic Name: 3-[3,5-bis(hydroxymethyl)-2-methyl-4-oxidanyl-phenyl]-1,1-dimethyl-thiourea Openeye Name: 3-[4-hydroxy-3,5-bis(hydroxymethyl)-2-methyl-phenyl]-1,1-dimethyl-thiourea CAS Name: 3-[4-hydroxy-3,5-bis(hydroxymethyl)-2-methylphenyl]-1,1-dimethylthiourea IUPAC Name: 3-[4-hydroxy-3,5-bis(hydroxymethyl)-2-methylphenyl]-1,1-dimethylthiourea Traditional Name: 3-(4-hydroxy-2-methyl-3,5-dimethylol-phenyl)-1,1-dimethyl-thiourea Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1CO)O)CO)NC(=S)N(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1CO)O)CO)NC(=S)N(C)C

InChI

InChI=1S/C12H18N2O3S/c1-7-9(6-16)11(17)8(5-15)4-10(7)13-12(18)14(2)3/h4,15-17H,5-6H2,1-3H3,(H,13,18)