3-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]-N-phenethyl-propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C21H20N4O2S/c22-12-15-28-21-24-18-9-5-4-8-17(18)20(27)25(21)14-11-19(26)23-13-10-16-6-2-1-3-7-16/h1-9H,10-11,13-15H2,(H,23,26)