2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylthio]-N-cyclopropyl-cinchoninamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C20H22N4O2S/c1-20(2,3)19-23-16(24-26-19)11-27-17-10-14(18(25)21-12-8-9-12)13-6-4-5-7-15(13)22-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,25)