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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C27H28N4O3S/c1-18-26(29-27(35)28-24-16-22(32-3)13-14-25(24)33-4)19(2)31(30-18)17-20-9-8-12-23(15-20)34-21-10-6-5-7-11-21/h5-16H,17H2,1-4H3,(H2,28,29,35)