N-(2-cyclopentylpyrazol-3-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C24H31N5O2S/c1-2-3-4-9-16-28-23(31)19-12-7-8-13-20(19)26-24(28)32-17-22(30)27-21-14-15-25-29(21)18-10-5-6-11-18/h7-8,12-15,18H,2-6,9-11,16-17H2,1H3,(H,27,30)