N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-hydroxy-1-isopentyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-hydroxy-1-(3-methylbutyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-hydroxy-1-(3-methylbutyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-hydroxy-1-isoamyl-4-keto-quinoline-3-carboxamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H25N3O3S/c1-17(2)15-16-31-22-9-5-3-7-20(22)25(32)24(28(31)34)26(33)29-19-13-11-18(12-14-19)27-30-21-8-4-6-10-23(21)35-27/h3-14,17,34H,15-16H2,1-2H3,(H,29,33)