1-(3,3-dimethylbutan-2-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(3,3-dimethylbutan-2-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(1,2,2-trimethylpropyl)thiourea CAS Name: 1-(3,3-dimethylbutan-2-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,3-dimethylbutan-2-yl)thiourea Traditional Name: 1-benzyl-3-(1,2,2-trimethylpropyl)thiourea Formula: C14H22N2S MolecularWeight: 250.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C(C)(C)C)NC(=S)NCC1=CC=CC=C1

InChI

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