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

Systemtic Name: 2-[4-[5-(1,2-dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[5-(3-dithiolanyl)-1-oxopentyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H30FN3O2S2 MolecularWeight: 439.610203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O2S2/c22-17-6-8-18(9-7-17)23-20(26)16-24-11-3-12-25(14-13-24)21(27)5-2-1-4-19-10-15-28-29-19/h6-9,19H,1-5,10-16H2,(H,23,26)