N-(4-ethanoylphenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-acetylphenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-19(32)22-14-16-23(17-15-22)29-26(33)20(2)35-28-30-25-13-7-6-12-24(25)27(34)31(28)18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17,20H,8,11,18H2,1-2H3,(H,29,33)