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

Systemtic Name: N-(2-bromophenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromophenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-bromophenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromophenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C22H17BrN4O2S MolecularWeight: 481.36498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Br)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3Br)CC4=CN=CC=C4

InChI

InChI=1S/C22H17BrN4O2S/c23-17-8-2-4-10-19(17)25-20(28)14-30-22-26-18-9-3-1-7-16(18)21(29)27(22)13-15-6-5-11-24-12-15/h1-12H,13-14H2,(H,25,28)