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

Systemtic Name: 1-hexyl-2-oxidanidyl-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate Openeye Name: 1-hexyl-2-oxido-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate CAS Name: 1-hexyl-2-oxido-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-quinolinecarboximidate IUPAC Name: 1-hexyl-2-oxido-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate Traditional Name: 1-hexyl-4-keto-2-oxido-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate Formula: C21H24N4O3S-2 MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NN=C(S3)CCC)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NN=C(S3)CCC)[O-]

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)/p-2