4-[3-[(3-acetamido-3-thiophen-2-yl-propanoyl)-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[(3-acetamido-3-thiophen-2-yl-propanoyl)-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[3-acetamido-3-(2-thienyl)propanoyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[(3-acetamido-3-thiophen-2-ylpropanoyl)-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[3-acetamido-3-(2-thienyl)propanoyl]-ethyl-amino]propanoylamino]benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CC(C2=CC=CS2)NC(=O)C

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CC(C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C21H26N4O4S/c1-3-25(20(28)13-17(23-14(2)26)18-5-4-12-30-18)11-10-19(27)24-16-8-6-15(7-9-16)21(22)29/h4-9,12,17H,3,10-11,13H2,1-2H3,(H2,22,29)(H,23,26)(H,24,27)