2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[3-(methylsulfonylamino)phenyl]methyl]ethanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[3-(methylsulfonylamino)phenyl]methyl]ethanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-[3-(methanesulfonamido)benzyl]acetamide Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S2/c1-3-21-19-16-9-4-5-10-17(16)23-20(24-19)29-13-18(26)22-12-14-7-6-8-15(11-14)25-30(2,27)28/h4-11,25H,3,12-13H2,1-2H3,(H,22,26)(H,21,23,24)