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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-ethyl-2-[[4-(methylamino)quinazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC

InChI

InChI=1S/C21H22N4O3S/c1-3-25(11-14-8-9-17-18(10-14)28-13-27-17)19(26)12-29-21-23-16-7-5-4-6-15(16)20(22-2)24-21/h4-10H,3,11-13H2,1-2H3,(H,22,23,24)