[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C24H25N3O3S2/c28-23(27-12-10-26(11-13-27)14-19-6-2-1-3-7-19)15-30-24(29)21-8-4-5-9-22(21)32-17-20-16-31-18-25-20/h1-9,16,18H,10-15,17H2