2-[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[4-(4-tert-amylphenoxy)anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C27H26N3O3S- MolecularWeight: 472.57864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C27H27N3O3S/c1-4-27(2,3)18-9-13-20(14-10-18)33-21-15-11-19(12-16-21)28-24(31)17-34-26-29-23-8-6-5-7-22(23)25(32)30-26/h5-16H,4,17H2,1-3H3,(H,28,31)(H,29,30,32)/p-1