[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)Cl

InChI

InChI=1S/C19H18ClN3O5S/c20-13-1-3-15(4-2-13)29-6-5-17(25)28-10-16(24)23-14-8-11(18(21)26)7-12(9-14)19(22)27/h1-4,7-9H,5-6,10H2,(H2,21,26)(H2,22,27)(H,23,24)