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

Systemtic Name: 2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N-phenethyl-acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-19(2)21-12-7-9-15-24(21)30-26(32)22-13-6-8-14-23(22)29-27(30)33-18-25(31)28-17-16-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3,(H,28,31)