(phenylmethyl) 4-[4-(furan-2-ylmethylsulfanylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(furan-2-ylmethylsulfanylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: benzyl 4-[4-(2-furylmethylsulfanylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(2-furanylmethylthio)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(furan-2-ylmethylsulfanylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-furfurylthio)methyl]benzoyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CSCC3=CC=CO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CSCC3=CC=CO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c28-24(22-10-8-21(9-11-22)18-32-19-23-7-4-16-30-23)26-12-14-27(15-13-26)25(29)31-17-20-5-2-1-3-6-20/h1-11,16H,12-15,17-19H2