N-(1,3-benzothiazol-2-yl)-1-hexyl-2-oxidanidyl-4-oxidanylidene-quinoline-3-carboximidate

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-hexyl-2-oxidanidyl-4-oxidanylidene-quinoline-3-carboximidate Openeye Name: N-(1,3-benzothiazol-2-yl)-1-hexyl-2-oxido-4-oxo-quinoline-3-carboximidate CAS Name: N-(1,3-benzothiazol-2-yl)-1-hexyl-2-oxido-4-oxo-3-quinolinecarboximidate IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-hexyl-2-oxido-4-oxoquinoline-3-carboximidate Traditional Name: N-(1,3-benzothiazol-2-yl)-1-hexyl-4-keto-2-oxido-quinoline-3-carboximidate Formula: C23H21N3O3S-2 MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C23H23N3O3S/c1-2-3-4-9-14-26-17-12-7-5-10-15(17)20(27)19(22(26)29)21(28)25-23-24-16-11-6-8-13-18(16)30-23/h5-8,10-13,29H,2-4,9,14H2,1H3,(H,24,25,28)/p-2