2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]-N-butyl-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methylacetamide Traditional Name: N-butyl-N-methyl-2-[[4-(piperonylamino)quinazolin-2-yl]thio]acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O3S/c1-3-4-11-27(2)21(28)14-31-23-25-18-8-6-5-7-17(18)22(26-23)24-13-16-9-10-19-20(12-16)30-15-29-19/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,24,25,26)