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

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O4S/c1-16(28-19(25)14-22-20(26)18-8-5-13-29-18)21(27)24-11-9-23(10-12-24)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,26)