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

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[[3-(3-chloro-4-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=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4)Cl

InChI

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