1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-homoveratryl-thiourea Formula: C20H30N4O2S MolecularWeight: 390.5428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H30N4O2S/c1-20(2,3)18(14-24-12-6-10-22-24)23-19(27)21-11-9-15-7-8-16(25-4)17(13-15)26-5/h6-8,10,12-13,18H,9,11,14H2,1-5H3,(H2,21,23,27)