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

Systemtic Name: 1-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]hexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C26H31N5O3S/c1-2-3-10-22(25(34)30-14-11-19(12-15-30)23(27)32)35-26-29-21-9-5-4-8-20(21)24(33)31(26)17-18-7-6-13-28-16-18/h4-9,13,16,19,22H,2-3,10-12,14-15,17H2,1H3,(H2,27,32)