N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C23H22N4O2S/c24-14-13-16-9-11-17(12-10-16)25-21(28)15-30-23-26-20-8-4-3-7-19(20)22(29)27(23)18-5-1-2-6-18/h3-4,7-12,18H,1-2,5-6,13,15H2,(H,25,28)