N-butyl-2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-butyl-2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-butyl-2-(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-butyl-2-[(4-oxo-3-phenethyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-butyl-2-(4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-butyl-2-[(4-keto-3-phenethyl-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)N1CCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-2-3-14-23-20(26)16-28-22-24-19-12-8-7-11-18(19)21(27)25(22)15-13-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,26)