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

Systemtic Name: 2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-(2-phenoxyethylthio)ethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(2-phenoxyethylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S/c28-23(25-18-21-8-3-1-4-9-21)19-26-12-7-13-27(15-14-26)24(29)20-31-17-16-30-22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2,(H,25,28)