1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea Formula: C16H21BrN4O2S MolecularWeight: 413.33254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H21BrN4O2S/c1-11-13(17)10-21(20-11)8-4-7-18-16(24)19-14-9-12(22-2)5-6-15(14)23-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,18,19,24)