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

Systemtic Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H29N5O3S2/c25-34(31,32)19-12-10-17(11-13-19)14-15-26-22(30)16-33-24-28-21-9-5-4-8-20(21)23(29-24)27-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-16H2,(H,26,30)(H2,25,31,32)(H,27,28,29)