1-(2-methoxy-5-methyl-phenyl)-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiourea Openeye Name: 1-[1-(2-benzyloxyethyl)pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-(2-methoxy-5-methylphenyl)-3-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(2-methoxy-5-methylphenyl)-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiourea Traditional Name: 1-[1-(2-benzoxyethyl)pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CCOCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-8-9-20(26-2)19(12-16)24-21(28)23-18-13-22-25(14-18)10-11-27-15-17-6-4-3-5-7-17/h3-9,12-14H,10-11,15H2,1-2H3,(H2,23,24,28)