N-[[3-(methylsulfonylamino)phenyl]methyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[3-(methylsulfonylamino)phenyl]methyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-(methanesulfonamido)benzyl]-2-(quinazolin-4-ylthio)acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H18N4O3S2/c1-27(24,25)22-14-6-4-5-13(9-14)10-19-17(23)11-26-18-15-7-2-3-8-16(15)20-12-21-18/h2-9,12,22H,10-11H2,1H3,(H,19,23)