4-[3-[ethyl-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[ethyl-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]propanoylamino]benzamide Openeye Name: 4-[3-[ethyl-[2-(4-methylsulfanylanilino)-2-oxo-ethyl]amino]propanoylamino]benzamide CAS Name: 4-[[3-[ethyl-[2-[4-(methylthio)anilino]-2-oxoethyl]amino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[ethyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]propanoylamino]benzamide Traditional Name: 4-[3-[ethyl-[2-keto-2-[4-(methylthio)anilino]ethyl]amino]propanoylamino]benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26N4O3S/c1-3-25(14-20(27)24-17-8-10-18(29-2)11-9-17)13-12-19(26)23-16-6-4-15(5-7-16)21(22)28/h4-11H,3,12-14H2,1-2H3,(H2,22,28)(H,23,26)(H,24,27)