N-cyclooctyl-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S/c1-19(2)20-14-16-22(17-15-20)30-26(32)23-12-8-9-13-24(23)29-27(30)33-18-25(31)28-21-10-6-4-3-5-7-11-21/h8-9,12-17,19,21H,3-7,10-11,18H2,1-2H3,(H,28,31)