N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[4-(4-tert-amylphenoxy)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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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=NC=NC4=CC=CC=C43

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O2S/c1-4-27(2,3)19-9-13-21(14-10-19)32-22-15-11-20(12-16-22)30-25(31)17-33-26-23-7-5-6-8-24(23)28-18-29-26/h5-16,18H,4,17H2,1-3H3,(H,30,31)