N-[2,6-di(propan-2-yl)phenyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC=C4C(C)C)C(C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC=C4C(C)C)C(C)C

InChI

InChI=1S/C28H30N4O2S/c1-17(2)20-10-8-11-21(18(3)4)26(20)31-25(33)16-35-28-30-23-12-7-6-9-22(23)27(34)32(28)24-15-19(5)13-14-29-24/h6-15,17-18H,16H2,1-5H3,(H,31,33)