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

Systemtic Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]amino]-2-oxo-ethyl]quinoline-3-carboxamide CAS Name: N-[2-[[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]quinoline-3-carboxamide Traditional Name: N-[2-[[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]amino]-2-keto-ethyl]quinoline-3-carboxamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O5S/c1-2-3-16-37-22-11-13-23(14-12-22)38-25(28(35)32-36)10-6-7-15-29-26(33)19-31-27(34)21-17-20-8-4-5-9-24(20)30-18-21/h4-5,8-9,11-14,17-18,25,36H,6-7,10,15-16,19H2,1H3,(H,29,33)(H,31,34)(H,32,35)