N-(2,5-dimethylpyrazol-3-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2S/c1-17-15-21(28(2)27-17)26-22(30)16-32-24-25-20-13-7-6-12-19(20)23(31)29(24)14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15H,8,11,14,16H2,1-2H3,(H,26,30)