2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-[4-(methylsulfamoylmethyl)benzyl]acetamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)CS(=O)(=O)NC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)CS(=O)(=O)NC

InChI

InChI=1S/C21H25N5O3S2/c1-3-23-20-17-6-4-5-7-18(17)25-21(26-20)30-13-19(27)24-12-15-8-10-16(11-9-15)14-31(28,29)22-2/h4-11,22H,3,12-14H2,1-2H3,(H,24,27)(H,23,25,26)