4-[3-[2-(4-ethoxyphenyl)sulfanylethanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[2-(4-ethoxyphenyl)sulfanylethanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[ethyl-[2-(p-phenetylthio)acetyl]amino]propanoylamino]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-3-25(21(27)15-30-19-11-9-18(10-12-19)29-4-2)14-13-20(26)24-17-7-5-16(6-8-17)22(23)28/h5-12H,3-4,13-15H2,1-2H3,(H2,23,28)(H,24,26)