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

Systemtic Name: N-phenethyl-2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-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-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-(2-phenoxyethylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S/c29-24(26-13-12-22-8-3-1-4-9-22)20-27-14-7-15-28(17-16-27)25(30)21-32-19-18-31-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2,(H,26,29)