4-[3-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]-ethyl-amino]propanoylamino]benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C20H22ClN3O4S/c1-2-24(19(27)10-7-15(25)16-8-9-17(21)29-16)12-11-18(26)23-14-5-3-13(4-6-14)20(22)28/h3-6,8-9H,2,7,10-12H2,1H3,(H2,22,28)(H,23,26)