2-[4-[5-(1,2-dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[5-(1,2-dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[5-(3-dithiolanyl)-1-oxopentyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C23H35N3O2S2 MolecularWeight: 449.6729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O2S2/c27-22(24-13-11-20-7-2-1-3-8-20)19-25-14-6-15-26(17-16-25)23(28)10-5-4-9-21-12-18-29-30-21/h1-3,7-8,21H,4-6,9-19H2,(H,24,27)