[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H27N3O4S/c1-17(29-20(26)7-9-23-21(27)19-8-14-30-16-19)22(28)25-12-10-24(11-13-25)15-18-5-3-2-4-6-18/h2-6,8,14,16-17H,7,9-13,15H2,1H3,(H,23,27)