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

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C28H25FN4O2S MolecularWeight: 500.587103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H25FN4O2S/c1-19(2)22-8-4-6-11-25(22)33-27(35)23-9-3-5-10-24(23)31-28(33)36-18-26(34)32(17-7-16-30)21-14-12-20(29)13-15-21/h3-6,8-15,19H,7,17-18H2,1-2H3