N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-2-[3-[(1S)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-[[3-[(2S)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-hydroxy-3,5-dimethyl-benzyl)-2-[[4-keto-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@@H](C)COC

InChI

InChI=1S/C23H27N3O4S/c1-14-9-17(10-15(2)21(14)28)11-24-20(27)13-31-23-25-19-8-6-5-7-18(19)22(29)26(23)16(3)12-30-4/h5-10,16,28H,11-13H2,1-4H3,(H,24,27)/t16-/m0/s1