1-(2,6-dimethylphenyl)-3-[(2S)-pentan-2-yl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[(2S)-pentan-2-yl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[(1S)-1-methylbutyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[(2S)-pentan-2-yl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[(2S)-pentan-2-yl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[(1S)-1-methylbutyl]thiourea Formula: C14H22N2S MolecularWeight: 250.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=S)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCC[C@H](C)NC(=S)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H22N2S/c1-5-7-12(4)15-14(17)16-13-10(2)8-6-9-11(13)3/h6,8-9,12H,5,7H2,1-4H3,(H2,15,16,17)/t12-/m0/s1