N-tert-butyl-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-tert-butylacetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-tert-butyl-acetamide Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2OS/c1-22(2,3)24-20(25)15-26-21-18(13-16-9-5-4-6-10-16)14-17-11-7-8-12-19(17)23-21/h4-12,14H,13,15H2,1-3H3,(H,24,25)