2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-16(2)12-13-25-21(27)18-10-6-7-11-19(18)24-22(25)28-15-20(26)23-14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)