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

Systemtic Name: 6-[2-[2-(1-benzothiophen-3-yl)ethanoylamino]ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfanyl-N-oxidanyl-hexanamide Openeye Name: 2-(benzothiophen-3-yl)-N-[2-[[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]amino]-2-oxo-ethyl]acetamide CAS Name: 6-[[2-[[2-(1-benzothiophen-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]-2-[(4-but-2-ynoxyphenyl)thio]-N-hydroxyhexanamide IUPAC Name: 6-[[2-[[2-(1-benzothiophen-3-yl)acetyl]amino]acetyl]amino]-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxyhexanamide Traditional Name: 2-(benzothiophen-3-yl)-N-[2-[[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]amino]-2-keto-ethyl]acetamide Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O5S2/c1-2-3-16-36-21-11-13-22(14-12-21)38-25(28(34)31-35)10-6-7-15-29-27(33)18-30-26(32)17-20-19-37-24-9-5-4-8-23(20)24/h4-5,8-9,11-14,19,25,35H,6-7,10,15-18H2,1H3,(H,29,33)(H,30,32)(H,31,34)