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

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(3-oxidanylidene-4-thiomorpholin-4-ylcarbonyl-cyclohexen-1-yl)naphthalen-1-yl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[3-oxo-4-(thiomorpholine-4-carbonyl)cyclohexen-1-yl]-1-naphthyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[3-oxo-4-[oxo(thiomorpholin-4-yl)methyl]-1-cyclohexenyl]-1-naphthalenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[3-oxo-4-(thiomorpholine-4-carbonyl)cyclohexen-1-yl]naphthalen-1-yl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[3-keto-4-(thiomorpholine-4-carbonyl)cyclohexen-1-yl]-1-naphthyl]urea Formula: C36H39N5O3S MolecularWeight: 621.79156

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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)C5=CC(=O)C(CC5)C(=O)N6CCSCC6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)C5=CC(=O)C(CC5)C(=O)N6CCSCC6

InChI

InChI=1S/C36H39N5O3S/c1-23-9-12-25(13-10-23)41-33(22-32(39-41)36(2,3)4)38-35(44)37-30-16-15-26(27-7-5-6-8-28(27)30)24-11-14-29(31(42)21-24)34(43)40-17-19-45-20-18-40/h5-10,12-13,15-16,21-22,29H,11,14,17-20H2,1-4H3,(H2,37,38,44)