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

Systemtic Name: N-butyl-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-butylacetamide Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-N-butyl-acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-2-3-13-22-20(25)15-26-21-17-11-7-8-12-18(17)23-19(24-21)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,22,25)