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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(3-methylbutyl)-2-oxidanidyl-4-oxidanylidene-quinoline-3-carboximidate Openeye Name: N-(1,3-benzothiazol-2-yl)-1-isopentyl-2-oxido-4-oxo-quinoline-3-carboximidate CAS Name: N-(1,3-benzothiazol-2-yl)-1-(3-methylbutyl)-2-oxido-4-oxo-3-quinolinecarboximidate IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(3-methylbutyl)-2-oxido-4-oxoquinoline-3-carboximidate Traditional Name: N-(1,3-benzothiazol-2-yl)-1-isoamyl-4-keto-2-oxido-quinoline-3-carboximidate Formula: C22H19N3O3S-2 MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C22H21N3O3S/c1-13(2)11-12-25-16-9-5-3-7-14(16)19(26)18(21(25)28)20(27)24-22-23-15-8-4-6-10-17(15)29-22/h3-10,13,28H,11-12H2,1-2H3,(H,23,24,27)/p-2