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

Systemtic Name: 2-[4-[5-(1,2-dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[5-(3-dithiolanyl)-1-oxopentyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2S2/c25-20(22-18-7-2-1-3-8-18)17-23-12-6-13-24(15-14-23)21(26)10-5-4-9-19-11-16-27-28-19/h1-3,7-8,19H,4-6,9-17H2,(H,22,25)