N-[4-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(hydroxymethyl)phenyl]-11-sulfanyl-undecanamide

Systemtic Name: N-[4-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(hydroxymethyl)phenyl]-11-sulfanyl-undecanamide Openeye Name: N-[4-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(hydroxymethyl)phenyl]-11-sulfanyl-undecanamide CAS Name: N-[4-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(hydroxymethyl)phenyl]-11-mercaptoundecanamide IUPAC Name: N-[4-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(hydroxymethyl)phenyl]-11-sulfanylundecanamide Traditional Name: N-[4-[2-(dimethylaminomethyl)benzyl]-3-methylol-phenyl]-11-mercapto-undecanamide Formula: C28H42N2O2S MolecularWeight: 470.71028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CC2=C(C=C(C=C2)NC(=O)CCCCCCCCCCS)CO

Isomeric SMILES

CN(C)CC1=CC=CC=C1CC2=C(C=C(C=C2)NC(=O)CCCCCCCCCCS)CO

InChI

InChI=1S/C28H42N2O2S/c1-30(2)21-25-14-11-10-13-23(25)19-24-16-17-27(20-26(24)22-31)29-28(32)15-9-7-5-3-4-6-8-12-18-33/h10-11,13-14,16-17,20,31,33H,3-9,12,15,18-19,21-22H2,1-2H3,(H,29,32)