5-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(5-tert-butyl-2-methyl-phenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(5-tert-butyl-2-methylphenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(5-tert-butyl-2-methyl-phenyl)thio]acetyl]amino]isophthalamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-12-5-6-15(21(2,3)4)10-17(12)28-11-18(25)24-16-8-13(19(22)26)7-14(9-16)20(23)27/h5-10H,11H2,1-4H3,(H2,22,26)(H2,23,27)(H,24,25)