N-(3-oxidanylidene-1-phenyl-butan-2-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-oxidanylidene-1-phenyl-butan-2-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-oxo-1-phenylbutan-2-yl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-oxo-1-phenylbutan-2-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3S/c1-21(33)26(19-23-13-6-3-7-14-23)30-27(34)20-36-29-31-25-17-9-8-16-24(25)28(35)32(29)18-10-15-22-11-4-2-5-12-22/h2-9,11-14,16-17,26H,10,15,18-20H2,1H3,(H,30,34)