N-tert-butyl-2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H25N3O2S/c1-14-10-11-15(2)18(12-14)25-20(27)16-8-6-7-9-17(16)23-21(25)28-13-19(26)24-22(3,4)5/h6-12H,13H2,1-5H3,(H,24,26)