2-[4-oxidanylidene-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-[4-oxo-3-[3-(1-piperidyl)propyl]quinazolin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[4-oxo-3-[3-(1-piperidinyl)propyl]-2-quinazolinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[4-oxo-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[[4-keto-3-(3-piperidinopropyl)quinazolin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4

InChI

InChI=1S/C26H33N5O2S/c1-2-23(24(32)28-19-20-10-8-13-27-18-20)34-26-29-22-12-5-4-11-21(22)25(33)31(26)17-9-16-30-14-6-3-7-15-30/h4-5,8,10-13,18,23H,2-3,6-7,9,14-17,19H2,1H3,(H,28,32)