2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclooctyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-cyclooctyl-acetamide Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C22H30ClN3O2S/c1-15(2)13-26-21(28)18-11-10-16(23)12-19(18)25-22(26)29-14-20(27)24-17-8-6-4-3-5-7-9-17/h10-12,15,17H,3-9,13-14H2,1-2H3,(H,24,27)