N-(1-cyanocyclohexyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H26N4O2S/c1-3-13-25-19(27)16-9-5-6-10-17(16)23-20(25)28-15(2)18(26)24-21(14-22)11-7-4-8-12-21/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,24,26)