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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O4S/c1-2-31-18-10-7-16(8-11-18)26-23(30)14-34-25-28-20-6-4-3-5-19(20)24(29-25)27-17-9-12-21-22(13-17)33-15-32-21/h3-13H,2,14-15H2,1H3,(H,26,30)(H,27,28,29)