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

Systemtic Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]quinoline-2-carboxamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]quinoline-2-carboxamide CAS Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-oxohexyl]-2-quinolinecarboxamide IUPAC Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxohexyl]quinoline-2-carboxamide Traditional Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]quinaldamide 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=NC3=CC=CC=C3C=C2)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NO

InChI

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