1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]thiourea Traditional Name: 1-[4-(4-tert-amylphenoxy)phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C29H32N4O2S/c1-6-29(3,4)21-12-16-24(17-13-21)35-25-18-14-22(15-19-25)30-28(36)31-26-20(2)32(5)33(27(26)34)23-10-8-7-9-11-23/h7-19H,6H2,1-5H3,(H2,30,31,36)