N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 2-hydroxy-1-isopentyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-quinoline-3-carboxamide CAS Name: 2-hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylbutyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(3-methylbutyl)-4-oxoquinoline-3-carboxamide Traditional Name: 2-hydroxy-1-isoamyl-4-keto-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-3-carboxamide Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(N(C5=CC=CC=C5C4=O)CCC(C)C)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(N(C5=CC=CC=C5C4=O)CCC(C)C)O

InChI

InChI=1S/C29H27N3O3S/c1-17(2)14-15-32-23-7-5-4-6-21(23)26(33)25(29(32)35)27(34)30-20-11-9-19(10-12-20)28-31-22-13-8-18(3)16-24(22)36-28/h4-13,16-17,35H,14-15H2,1-3H3,(H,30,34)