2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-(4-sulfamoylphenyl)propionamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C20H21N5O3S2/c1-12(19(26)23-14-8-10-15(11-9-14)30(21,27)28)29-20-24-17-5-3-2-4-16(17)18(25-20)22-13-6-7-13/h2-5,8-13H,6-7H2,1H3,(H,23,26)(H2,21,27,28)(H,22,24,25)