4-[3-[2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-ethyl-amino]propanoylamino]benzamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)COC2=CC=CC=C2C3SCCS3

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)COC2=CC=CC=C2C3SCCS3

InChI

InChI=1S/C23H27N3O4S2/c1-2-26(12-11-20(27)25-17-9-7-16(8-10-17)22(24)29)21(28)15-30-19-6-4-3-5-18(19)23-31-13-14-32-23/h3-10,23H,2,11-15H2,1H3,(H2,24,29)(H,25,27)