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

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]ethanamide Openeye Name: N-[2-(4-isopropylphenyl)ethyl]-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide IUPAC Name: 2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(2-p-cumenylethyl)acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-19(2)22-11-9-20(10-12-22)13-15-29-25(32)18-34-27-30-24-8-4-3-7-23(24)26(33)31(27)17-21-6-5-14-28-16-21/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H,29,32)