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

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-phenyl-thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-phenyl-thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-phenylthiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-phenylthiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-phenyl-thiourea Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H22N4S/c1-16(2,3)14(12-20-11-7-10-17-20)19-15(21)18-13-8-5-4-6-9-13/h4-11,14H,12H2,1-3H3,(H2,18,19,21)