N-(8-acetamido-3-methyl-6-methylsulfanyl-quinolin-5-yl)-2-hexylsulfanyl-decanamide

Systemtic Name: N-(8-acetamido-3-methyl-6-methylsulfanyl-quinolin-5-yl)-2-hexylsulfanyl-decanamide Openeye Name: N-(8-acetamido-3-methyl-6-methylsulfanyl-5-quinolyl)-2-hexylsulfanyl-decanamide CAS Name: N-[8-acetamido-3-methyl-6-(methylthio)-5-quinolinyl]-2-(hexylthio)decanamide IUPAC Name: N-(8-acetamido-3-methyl-6-methylsulfanylquinolin-5-yl)-2-hexylsulfanyldecanamide Traditional Name: N-[8-acetamido-3-methyl-6-(methylthio)-5-quinolyl]-2-(hexylthio)capramide Formula: C29H45N3O2S2 MolecularWeight: 531.8165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=C(C2=NC=C(C=C12)C)NC(=O)C)SC)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=C(C2=NC=C(C=C12)C)NC(=O)C)SC)SCCCCCC

InChI

InChI=1S/C29H45N3O2S2/c1-6-8-10-12-13-14-16-25(36-17-15-11-9-7-2)29(34)32-28-23-18-21(3)20-30-27(23)24(31-22(4)33)19-26(28)35-5/h18-20,25H,6-17H2,1-5H3,(H,31,33)(H,32,34)