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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C25H23N5O5S2 MolecularWeight: 537.61062

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C25H23N5O5S2/c26-37(32,33)18-8-5-16(6-9-18)11-12-27-23(31)14-36-25-29-20-4-2-1-3-19(20)24(30-25)28-17-7-10-21-22(13-17)35-15-34-21/h1-10,13H,11-12,14-15H2,(H,27,31)(H2,26,32,33)(H,28,29,30)