N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26ClN3O4S/c1-2-36-16-8-15-32-27(35)21-11-6-7-12-23(21)31-28(32)37-18-25(33)30-24-14-13-20(29)17-22(24)26(34)19-9-4-3-5-10-19/h3-7,9-14,17H,2,8,15-16,18H2,1H3,(H,30,33)