[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)-3-ureido-propionic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H23ClN4O5S/c22-15-5-3-14(4-6-15)16(24-21(23)30)12-19(28)31-13-18(27)25-7-9-26(10-8-25)20(29)17-2-1-11-32-17/h1-6,11,16H,7-10,12-13H2,(H3,23,24,30)