4-[3-[ethyl-[2-(4-methylphenyl)sulfanylpropanoyl]amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[ethyl-[2-(4-methylphenyl)sulfanylpropanoyl]amino]propanoylamino]benzamide Openeye Name: 4-[3-[ethyl-[2-(p-tolylsulfanyl)propanoyl]amino]propanoylamino]benzamide CAS Name: 4-[[3-[ethyl-[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[ethyl-[2-(4-methylphenyl)sulfanylpropanoyl]amino]propanoylamino]benzamide Traditional Name: 4-[3-[ethyl-[2-(p-tolylthio)propanoyl]amino]propanoylamino]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C(C)SC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C(C)SC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27N3O3S/c1-4-25(22(28)16(3)29-19-11-5-15(2)6-12-19)14-13-20(26)24-18-9-7-17(8-10-18)21(23)27/h5-12,16H,4,13-14H2,1-3H3,(H2,23,27)(H,24,26)