1-(2,6-dimethylphenyl)-3-(3-methylbutyl)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(3-methylbutyl)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-isopentyl-thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-(3-methylbutyl)thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(3-methylbutyl)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-isoamyl-thiourea Formula: C14H22N2S MolecularWeight: 250.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NCCC(C)C

InChI

InChI=1S/C14H22N2S/c1-10(2)8-9-15-14(17)16-13-11(3)6-5-7-12(13)4/h5-7,10H,8-9H2,1-4H3,(H2,15,16,17)