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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C

InChI

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