N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-acetamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4S/c1-15(2)9-10-26-22(28)17-5-3-4-6-18(17)25-23(26)31-13-21(27)24-12-16-7-8-19-20(11-16)30-14-29-19/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,24,27)