1-(2,5-dimethylphenyl)-3-(1-oxidanylbutan-2-yl)thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(1-oxidanylbutan-2-yl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[1-(hydroxymethyl)propyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-(1-hydroxybutan-2-yl)thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(1-hydroxybutan-2-yl)thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-(1-methylolpropyl)thiourea Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=S)NC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCC(CO)NC(=S)NC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C13H20N2OS/c1-4-11(8-16)14-13(17)15-12-7-9(2)5-6-10(12)3/h5-7,11,16H,4,8H2,1-3H3,(H2,14,15,17)