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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]acetamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C26H22N4O3S/c1-33-21-12-8-19(9-13-21)16-30-25(32)22-4-2-3-5-23(22)29-26(30)34-17-24(31)28-20-10-6-18(7-11-20)14-15-27/h2-13H,14,16-17H2,1H3,(H,28,31)