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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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