2-[2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(5-tert-butyl-2-methylphenyl)thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(5-tert-butyl-2-methyl-phenyl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C22H25N3O2S/c1-14-9-10-15(22(2,3)4)11-18(14)28-13-20-24-17-8-6-5-7-16(17)21(27)25(20)12-19(23)26/h5-11H,12-13H2,1-4H3,(H2,23,26)