6-[2-(1-benzothiophen-3-yl)ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfanyl-N-oxidanyl-hexanamide

Systemtic Name: 6-[2-(1-benzothiophen-3-yl)ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfanyl-N-oxidanyl-hexanamide Openeye Name: 2-(benzothiophen-3-yl)-N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]acetamide CAS Name: 6-[[2-(1-benzothiophen-3-yl)-1-oxoethyl]amino]-2-[(4-but-2-ynoxyphenyl)thio]-N-hydroxyhexanamide IUPAC Name: 6-[[2-(1-benzothiophen-3-yl)acetyl]amino]-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxyhexanamide Traditional Name: 2-(benzothiophen-3-yl)-N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]acetamide Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CC2=CSC3=CC=CC=C32)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CC2=CSC3=CC=CC=C32)C(=O)NO

InChI

InChI=1S/C26H28N2O4S2/c1-2-3-16-32-20-11-13-21(14-12-20)34-24(26(30)28-31)10-6-7-15-27-25(29)17-19-18-33-23-9-5-4-8-22(19)23/h4-5,8-9,11-14,18,24,31H,6-7,10,15-17H2,1H3,(H,27,29)(H,28,30)