3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(2,4-ditert-amylphenoxy)butyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H38N2O2S MolecularWeight: 466.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCN2C(=O)C3=CC=CC=C3NC2=S)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCN2C(=O)C3=CC=CC=C3NC2=S)C(C)(C)CC

InChI

InChI=1S/C28H38N2O2S/c1-7-27(3,4)20-15-16-24(22(19-20)28(5,6)8-2)32-18-12-11-17-30-25(31)21-13-9-10-14-23(21)29-26(30)33/h9-10,13-16,19H,7-8,11-12,17-18H2,1-6H3,(H,29,33)