4-[3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-ethyl-amino]propanoylamino]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C22H26BrN3O3S/c1-4-26(21(28)13-30-19-12-14(2)18(23)11-15(19)3)10-9-20(27)25-17-7-5-16(6-8-17)22(24)29/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,24,29)(H,25,27)