1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-thiomorpholin-4-ylethoxy)naphthalen-1-yl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-thiomorpholin-4-ylethoxy)naphthalen-1-yl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-thiomorpholinoethoxy)-1-naphthyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-(2-thiomorpholin-4-ylethoxy)-1-naphthalenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-thiomorpholin-4-ylethoxy)naphthalen-1-yl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-thiomorpholinoethoxy)-1-naphthyl]urea Formula: C31H37N5O2S MolecularWeight: 543.72278

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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(C4=CC=CC=C43)OCCN5CCSCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCSCC5

InChI

InChI=1S/C31H37N5O2S/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)38-18-15-35-16-19-39-20-17-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)