N-(2,4-dimethylphenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[3-[(1S)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[3-[(2S)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[4-keto-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@@H](C)COC)C

InChI

InChI=1S/C22H25N3O3S/c1-14-9-10-18(15(2)11-14)23-20(26)13-29-22-24-19-8-6-5-7-17(19)21(27)25(22)16(3)12-28-4/h5-11,16H,12-13H2,1-4H3,(H,23,26)/t16-/m0/s1