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

Systemtic Name: N-butyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[2-(phenoxymethyl)quinazolin-4-yl]thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)COC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-2-3-13-22-20(25)15-27-21-17-11-7-8-12-18(17)23-19(24-21)14-26-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,22,25)