1-[2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]hexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

InChI

InChI=1S/C25H29N5O3S/c1-2-3-10-21(24(33)29-14-11-17(12-15-29)22(26)31)34-25-28-20-9-5-4-8-19(20)23(32)30(25)18-7-6-13-27-16-18/h4-9,13,16-17,21H,2-3,10-12,14-15H2,1H3,(H2,26,31)