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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-(4-methylbenzyl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4OS/c1-19-12-14-22(15-13-19)17-28-27(33)29-26-20(2)30-31(21(26)3)18-23-8-7-11-25(16-23)32-24-9-5-4-6-10-24/h4-16H,17-18H2,1-3H3,(H2,28,29,33)