5-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]isophthalamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C18H18BrN3O3S/c1-9-4-15(10(2)3-14(9)19)26-8-16(23)22-13-6-11(17(20)24)5-12(7-13)18(21)25/h3-7H,8H2,1-2H3,(H2,20,24)(H2,21,25)(H,22,23)