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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: N-(3-methoxyphenyl)-2-[[4-(piperonylamino)quinazolin-2-yl]thio]acetamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O4S/c1-31-18-6-4-5-17(12-18)27-23(30)14-34-25-28-20-8-3-2-7-19(20)24(29-25)26-13-16-9-10-21-22(11-16)33-15-32-21/h2-12H,13-15H2,1H3,(H,27,30)(H,26,28,29)