N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]amino]-2-oxo-ethyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]amino]-2-keto-ethyl]-1-methyl-pyrrole-2-carboxamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CNC(=O)C2=CC=CN2C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CNC(=O)C2=CC=CN2C)C(=O)NO

InChI

InChI=1S/C24H30N4O5S/c1-3-4-16-33-18-10-12-19(13-11-18)34-21(24(31)27-32)9-5-6-14-25-22(29)17-26-23(30)20-8-7-15-28(20)2/h7-8,10-13,15,21,32H,5-6,9,14,16-17H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)