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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-butyl-2-oxidanidyl-4-oxidanylidene-quinoline-3-carboximidate Openeye Name: N-(1,3-benzothiazol-2-yl)-1-butyl-2-oxido-4-oxo-quinoline-3-carboximidate CAS Name: N-(1,3-benzothiazol-2-yl)-1-butyl-2-oxido-4-oxo-3-quinolinecarboximidate IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-butyl-2-oxido-4-oxoquinoline-3-carboximidate Traditional Name: N-(1,3-benzothiazol-2-yl)-1-butyl-4-keto-2-oxido-quinoline-3-carboximidate Formula: C21H17N3O3S-2 MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C21H19N3O3S/c1-2-3-12-24-15-10-6-4-8-13(15)18(25)17(20(24)27)19(26)23-21-22-14-9-5-7-11-16(14)28-21/h4-11,27H,2-3,12H2,1H3,(H,22,23,26)/p-2