N-butyl-4-methylsulfanyl-3-[(4-octylsulfanylphenyl)carbonylamino]benzamide

Systemtic Name: N-butyl-4-methylsulfanyl-3-[(4-octylsulfanylphenyl)carbonylamino]benzamide Openeye Name: N-butyl-4-methylsulfanyl-3-[(4-octylsulfanylbenzoyl)amino]benzamide CAS Name: N-butyl-4-(methylthio)-3-[[[4-(octylthio)phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-butyl-4-methylsulfanyl-3-[(4-octylsulfanylbenzoyl)amino]benzamide Traditional Name: N-butyl-4-(methylthio)-3-[[4-(octylthio)benzoyl]amino]benzamide Formula: C27H38N2O2S2 MolecularWeight: 486.73282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCC)SC

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCC)SC

InChI

InChI=1S/C27H38N2O2S2/c1-4-6-8-9-10-11-19-33-23-15-12-21(13-16-23)27(31)29-24-20-22(14-17-25(24)32-3)26(30)28-18-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3,(H,28,30)(H,29,31)