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

Systemtic Name: 4-[3-[ethyl-[2-(4-methylphenyl)sulfanylethanoyl]amino]propanoylamino]benzamide Openeye Name: 4-[3-[ethyl-[2-(p-tolylsulfanyl)acetyl]amino]propanoylamino]benzamide CAS Name: 4-[[3-[ethyl-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[ethyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanoylamino]benzamide Traditional Name: 4-[3-[ethyl-[2-(p-tolylthio)acetyl]amino]propanoylamino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25N3O3S/c1-3-24(20(26)14-28-18-10-4-15(2)5-11-18)13-12-19(25)23-17-8-6-16(7-9-17)21(22)27/h4-11H,3,12-14H2,1-2H3,(H2,22,27)(H,23,25)