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

Systemtic Name: 2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[1-oxo-2-(2-phenoxyethylthio)ethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(2-phenoxyethylthio)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c27-22(24-20-8-3-1-4-9-20)18-25-12-7-13-26(15-14-25)23(28)19-30-17-16-29-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,24,27)