2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylquinolin-4-yl)butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylquinolin-4-yl)butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-4-quinolyl)butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylquinolin-4-yl)butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-methyl-4-quinolyl)butyramide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O2S/c1-3-19(27-21-24-16-10-6-7-11-18(16)26-21)20(25)23-17-12-13(2)22-15-9-5-4-8-14(15)17/h4-12,19H,3H2,1-2H3,(H,22,23,25)