N-(3-methoxyphenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[4-(phenethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-methoxyphenyl)-2-[[4-(phenethylamino)quinazolin-2-yl]thio]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-31-20-11-7-10-19(16-20)27-23(30)17-32-25-28-22-13-6-5-12-21(22)24(29-25)26-15-14-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3,(H,27,30)(H,26,28,29)