N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxidanylidene-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxidanylidene-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxo-3-[3-(1-piperidyl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-oxo-3-[3-(1-piperidinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxo-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-piperidinopropyl)quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4

InChI

InChI=1S/C22H28N6O2S/c1-16-14-19(26-25-16)24-20(29)15-31-22-23-18-9-4-3-8-17(18)21(30)28(22)13-7-12-27-10-5-2-6-11-27/h3-4,8-9,14H,2,5-7,10-13,15H2,1H3,(H2,24,25,26,29)