4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanyl-phenyl)octanoylamino]benzamide

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanyl-phenyl)octanoylamino]benzamide Openeye Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanyl-phenyl)octanoylamino]benzamide CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(methylthio)phenyl]-1-oxooctyl]amino]benzamide IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanylphenyl)octanoylamino]benzamide Traditional Name: 4-tert-butyl-3-[3-[2-methoxy-4-(methylthio)phenyl]octanoylamino]benzamide Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)N)C(C)(C)C)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)N)C(C)(C)C)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C27H38N2O3S/c1-7-8-9-10-18(21-13-12-20(33-6)17-24(21)32-5)16-25(30)29-23-15-19(26(28)31)11-14-22(23)27(2,3)4/h11-15,17-18H,7-10,16H2,1-6H3,(H2,28,31)(H,29,30)