N-cyclooctyl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2S/c1-18-14-19(2)16-21(15-18)29-25(31)22-12-8-9-13-23(22)28-26(29)32-17-24(30)27-20-10-6-4-3-5-7-11-20/h8-9,12-16,20H,3-7,10-11,17H2,1-2H3,(H,27,30)