N-(2-cyanophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-cyanophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-cyanophenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-cyanophenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-cyanophenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4O2S/c1-13(2)25-20(27)16-9-5-7-11-18(16)24-21(25)28-14(3)19(26)23-17-10-6-4-8-15(17)12-22/h4-11,13-14H,1-3H3,(H,23,26)