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

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methyl-1-phenylbutyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(CC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(CC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-18(2)15-23(20-9-5-4-6-10-20)29-25(32)17-34-27-30-22-12-8-7-11-21(22)26(33)31(27)24-16-19(3)13-14-28-24/h4-14,16,18,23H,15,17H2,1-3H3,(H,29,32)