N-butyl-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-(phenethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-(phenethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[4-(phenethylamino)quinazolin-2-yl]thio]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-2-3-14-23-20(27)16-28-22-25-19-12-8-7-11-18(19)21(26-22)24-15-13-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,25,26)