6-butoxy-N-(3-butylsulfanylphenyl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 6-butoxy-N-(3-butylsulfanylphenyl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-butoxy-N-(3-butylsulfanylphenyl)-2-hydroxy-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-butoxy-N-[3-(butylthio)phenyl]-2-hydroxy-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-butoxy-N-(3-butylsulfanylphenyl)-2-hydroxy-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-butoxy-N-[3-(butylthio)phenyl]-2-hydroxy-4-keto-1-methyl-quinoline-3-carboxamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)NC3=CC(=CC=C3)SCCCC)O)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)NC3=CC(=CC=C3)SCCCC)O)C

InChI

InChI=1S/C25H30N2O4S/c1-4-6-13-31-18-11-12-21-20(16-18)23(28)22(25(30)27(21)3)24(29)26-17-9-8-10-19(15-17)32-14-7-5-2/h8-12,15-16,30H,4-7,13-14H2,1-3H3,(H,26,29)