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

Systemtic Name: N-cyclopentyl-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-cyclopentyl-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-cyclopentyl-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3

InChI

InChI=1S/C21H29N3O2S/c1-2-3-4-9-14-24-20(26)17-12-7-8-13-18(17)23-21(24)27-15-19(25)22-16-10-5-6-11-16/h7-8,12-13,16H,2-6,9-11,14-15H2,1H3,(H,22,25)