2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C25H25N5O3S2 MolecularWeight: 507.6277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H25N5O3S2/c26-35(32,33)20-12-10-18(11-13-20)14-15-27-23(31)17-34-25-29-22-9-5-4-8-21(22)24(30-25)28-16-19-6-2-1-3-7-19/h1-13H,14-17H2,(H,27,31)(H2,26,32,33)(H,28,29,30)