N-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[[4-(methylamino)-2-quinazolinyl]thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[4-(methylamino)quinazolin-2-yl]thio]acetyl]phenyl]methanesulfonamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C18H18N4O3S2/c1-19-17-14-5-3-4-6-15(14)20-18(21-17)26-11-16(23)12-7-9-13(10-8-12)22-27(2,24)25/h3-10,22H,11H2,1-2H3,(H,19,20,21)