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

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C27H27N5O2S/c33-25(29-21-10-12-22(13-11-21)31-15-4-1-5-16-31)19-35-27-30-24-9-3-2-8-23(24)26(34)32(27)18-20-7-6-14-28-17-20/h2-3,6-14,17H,1,4-5,15-16,18-19H2,(H,29,33)