N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-15-11-20(25-27-15)24-21(26)14-28-22-18(12-16-7-3-2-4-8-16)13-17-9-5-6-10-19(17)23-22/h2-11,13H,12,14H2,1H3,(H,24,25,26)