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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[4-(piperonylamino)quinazolin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N4O4S/c1-2-32-19-10-8-18(9-11-19)28-24(31)15-35-26-29-21-6-4-3-5-20(21)25(30-26)27-14-17-7-12-22-23(13-17)34-16-33-22/h3-13H,2,14-16H2,1H3,(H,28,31)(H,27,29,30)