N-(1,3-benzothiazol-6-yl)-1-[6-(oxidanylamino)-4-oxidanylidene-hexyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-1-[6-(oxidanylamino)-4-oxidanylidene-hexyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-6-yl)-1-[6-(hydroxyamino)-4-oxo-hexyl]-4-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-6-yl)-1-[6-(hydroxyamino)-4-oxohexyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-1-[6-(hydroxyamino)-4-oxohexyl]-4-oxoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-6-yl)-1-[6-(hydroxyamino)-4-keto-hexyl]-4-keto-quinoline-3-carboxamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2CCCC(=O)CCNO)C(=O)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2CCCC(=O)CCNO)C(=O)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C23H22N4O4S/c28-16(9-10-25-31)4-3-11-27-13-18(22(29)17-5-1-2-6-20(17)27)23(30)26-15-7-8-19-21(12-15)32-14-24-19/h1-2,5-8,12-14,25,31H,3-4,9-11H2,(H,26,30)