N-[4-(azepan-1-yl)phenyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C28H29N5O2S/c1-20-10-15-25(29-18-20)33-27(35)23-8-4-5-9-24(23)31-28(33)36-19-26(34)30-21-11-13-22(14-12-21)32-16-6-2-3-7-17-32/h4-5,8-15,18H,2-3,6-7,16-17,19H2,1H3,(H,30,34)