N-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-4-oxo-3-quinazolinyl]-2-phenylacetamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide Traditional Name: N-[2-[(4-tert-butylbenzyl)thio]-4-keto-quinazolin-3-yl]-2-phenyl-acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-27(2,3)21-15-13-20(14-16-21)18-33-26-28-23-12-8-7-11-22(23)25(32)30(26)29-24(31)17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,29,31)