N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C21H18N4O2S2/c22-11-12-28-18-8-4-3-7-17(18)23-19(26)13-29-21-24-16-6-2-1-5-15(16)20(27)25(21)14-9-10-14/h1-8,14H,9-10,12-13H2,(H,23,26)