N-[(6-octan-3-ylsulfanylhexylcarbamoylamino)methyl]-4-(4-oxidanylphenoxy)benzamide

Systemtic Name: N-[(6-octan-3-ylsulfanylhexylcarbamoylamino)methyl]-4-(4-oxidanylphenoxy)benzamide Openeye Name: N-[[6-(1-ethylhexylsulfanyl)hexylcarbamoylamino]methyl]-4-(4-hydroxyphenoxy)benzamide CAS Name: 4-(4-hydroxyphenoxy)-N-[[[[6-(octan-3-ylthio)hexylamino]-oxomethyl]amino]methyl]benzamide IUPAC Name: 4-(4-hydroxyphenoxy)-N-[(6-octan-3-ylsulfanylhexylcarbamoylamino)methyl]benzamide Traditional Name: N-[[6-(1-ethylhexylthio)hexylcarbamoylamino]methyl]-4-(4-hydroxyphenoxy)benzamide Formula: C29H43N3O4S MolecularWeight: 529.73442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)SCCCCCCNC(=O)NCNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCC(CC)SCCCCCCNC(=O)NCNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C29H43N3O4S/c1-3-5-8-11-27(4-2)37-21-10-7-6-9-20-30-29(35)32-22-31-28(34)23-12-16-25(17-13-23)36-26-18-14-24(33)15-19-26/h12-19,27,33H,3-11,20-22H2,1-2H3,(H,31,34)(H2,30,32,35)