(phenylmethyl) 2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-(2-phenoxyethylthio)ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(2-phenoxyethylthio)acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4S/c27-23(20-31-17-16-29-22-10-5-2-6-11-22)26-13-7-12-25(14-15-26)18-24(28)30-19-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2