2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide

Systemtic Name: 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide Openeye Name: 2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide CAS Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide IUPAC Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide Traditional Name: N-(4-amylphenyl)-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3NC2=S

InChI

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