2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-2-yl-benzamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-2-yl-benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(2-quinolyl)benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(2-quinolinyl)benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-2-ylbenzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(2-quinolyl)benzamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3O2S/c1-14-18(15(2)27-25-14)13-28-20-10-6-4-8-17(20)22(26)24-21-12-11-16-7-3-5-9-19(16)23-21/h3-12H,13H2,1-2H3,(H,23,24,26)