1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[[1-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]piperidin-4-yl]methyl]phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[[1-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]piperidin-4-yl]methyl]phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[[1-[2-(4-pyridyl)thiazole-4-carbonyl]-4-piperidyl]methyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[[1-[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-4-piperidinyl]methyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[[1-[2-(4-pyridyl)thiazole-4-carbonyl]-4-piperidyl]methyl]phenyl]urea Formula: C36H39N7O2S MolecularWeight: 633.80556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4CCN(CC4)C(=O)C5=CSC(=N5)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4CCN(CC4)C(=O)C5=CSC(=N5)C6=CC=NC=C6

InChI

InChI=1S/C36H39N7O2S/c1-24-5-11-29(12-6-24)43-32(22-31(41-43)36(2,3)4)40-35(45)38-28-9-7-25(8-10-28)21-26-15-19-42(20-16-26)34(44)30-23-46-33(39-30)27-13-17-37-18-14-27/h5-14,17-18,22-23,26H,15-16,19-21H2,1-4H3,(H2,38,40,45)