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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: N-cyclopentyl-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4S/c27-21(24-16-5-1-2-6-16)13-31-23-25-18-8-4-3-7-17(18)22(28)26(23)12-15-9-10-19-20(11-15)30-14-29-19/h3-4,7-11,16H,1-2,5-6,12-14H2,(H,24,27)