[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCNC(=O)C2=CSC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCNC(=O)C2=CSC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5S/c26-18(14-30-19(27)6-8-22-20(28)16-7-13-31-15-16)24-9-11-25(12-10-24)21(29)23-17-4-2-1-3-5-17/h1-5,7,13,15H,6,8-12,14H2,(H,22,28)(H,23,29)