2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-2-14-23-20(26)16-28-22-24-19-13-7-6-12-18(19)21(27)25(22)15-8-11-17-9-4-3-5-10-17/h1,3-7,9-10,12-13H,8,11,14-16H2,(H,23,26)