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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-cyclopentylethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: 2-[[2-(2-cyclopentylethyl)quinazolin-4-yl]thio]-N-piperonyl-acetamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC3=CC=CC=C3C(=N2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)CCC2=NC3=CC=CC=C3C(=N2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O3S/c29-24(26-14-18-9-11-21-22(13-18)31-16-30-21)15-32-25-19-7-3-4-8-20(19)27-23(28-25)12-10-17-5-1-2-6-17/h3-4,7-9,11,13,17H,1-2,5-6,10,12,14-16H2,(H,26,29)