1-hexyl-2-oxidanyl-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

Systemtic Name: 1-hexyl-2-oxidanyl-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide Openeye Name: 1-hexyl-2-hydroxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide CAS Name: 1-hexyl-2-hydroxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-quinolinecarboxamide IUPAC Name: 1-hexyl-2-hydroxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide Traditional Name: 1-hexyl-2-hydroxy-4-keto-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NN=C(S3)CCC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NN=C(S3)CCC

InChI

InChI=1S/C21H26N4O3S/c1-3-5-6-9-13-25-15-12-8-7-11-14(15)18(26)17(20(25)28)19(27)22-21-24-23-16(29-21)10-4-2/h7-8,11-12,28H,3-6,9-10,13H2,1-2H3,(H,22,24,27)