N-[4,6-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[4,6-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-octyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-octyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-octyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-hydroxy-4-keto-1-octyl-quinoline-3-carboxamide Formula: C25H25Cl2N3O3S MolecularWeight: 518.4553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(C=C(C=C4S3)Cl)Cl

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(C=C(C=C4S3)Cl)Cl

InChI

InChI=1S/C25H25Cl2N3O3S/c1-2-3-4-5-6-9-12-30-18-11-8-7-10-16(18)22(31)20(24(30)33)23(32)29-25-28-21-17(27)13-15(26)14-19(21)34-25/h7-8,10-11,13-14,33H,2-6,9,12H2,1H3,(H,28,29,32)