2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-pentan-2-yl-ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]-N-pentan-2-ylacetamide IUPAC Name: 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(1-methylbutyl)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-3-9-15(2)22-19(25)14-27-21-23-18-13-8-7-12-17(18)20(26)24(21)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,25)