1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-benzyl-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea Formula: C17H24N4S MolecularWeight: 316.46426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H24N4S/c1-17(2,3)15(13-21-11-7-10-19-21)20-16(22)18-12-14-8-5-4-6-9-14/h4-11,15H,12-13H2,1-3H3,(H2,18,20,22)