N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-13(2)24-20(26)16-7-5-6-8-17(16)23-21(24)27-12-19(25)22-18-11-14(3)9-10-15(18)4/h5-11,13H,12H2,1-4H3,(H,22,25)