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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-2-9-24-20(26)15-5-3-4-6-16(15)23-21(24)29-12-19(25)22-11-14-7-8-17-18(10-14)28-13-27-17/h3-8,10H,2,9,11-13H2,1H3,(H,22,25)