4-[3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-[(4-chlorobenzyl)thio]acetyl]-ethyl-amino]propanoylamino]benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-2-25(20(27)14-29-13-15-3-7-17(22)8-4-15)12-11-19(26)24-18-9-5-16(6-10-18)21(23)28/h3-10H,2,11-14H2,1H3,(H2,23,28)(H,24,26)