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

Systemtic Name: N-(cyanomethyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O2S/c1-19(2)21-12-7-9-15-24(21)31-26(33)22-13-6-8-14-23(22)29-27(31)34-18-25(32)30(17-16-28)20-10-4-3-5-11-20/h3-15,19H,17-18H2,1-2H3