N-(4-methylphenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(4-methylphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C29H24N4O2S MolecularWeight: 492.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C29H24N4O2S/c1-20-13-15-23(16-14-20)31-27(34)26(22-9-3-2-4-10-22)36-29-32-25-12-6-5-11-24(25)28(35)33(29)19-21-8-7-17-30-18-21/h2-18,26H,19H2,1H3,(H,31,34)