2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclooctyl-ethanamide

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclooctyl-acetamide Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4

InChI

InChI=1S/C25H28ClN3O2S/c1-17-20(26)13-9-15-22(17)29-24(31)19-12-7-8-14-21(19)28-25(29)32-16-23(30)27-18-10-5-3-2-4-6-11-18/h7-9,12-15,18H,2-6,10-11,16H2,1H3,(H,27,30)