N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]quinoline-3-carboxamide

Systemtic Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]quinoline-3-carboxamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]quinoline-3-carboxamide CAS Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-oxohexyl]-3-quinolinecarboxamide IUPAC Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxohexyl]quinoline-3-carboxamide Traditional Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]quinoline-3-carboxamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)NO

InChI

InChI=1S/C26H27N3O4S/c1-2-3-16-33-21-11-13-22(14-12-21)34-24(26(31)29-32)10-6-7-15-27-25(30)20-17-19-8-4-5-9-23(19)28-18-20/h4-5,8-9,11-14,17-18,24,32H,6-7,10,15-16H2,1H3,(H,27,30)(H,29,31)