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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-phenethyl-thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-phenethyl-thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-phenethylthiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-phenethylthiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-phenethyl-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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-20-26(29-27(33)28-17-16-22-10-5-3-6-11-22)21(2)31(30-20)19-23-12-9-15-25(18-23)32-24-13-7-4-8-14-24/h3-15,18H,16-17,19H2,1-2H3,(H2,28,29,33)