5-(1,2-dithiolan-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]pentan-1-one

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-5-(dithiolan-3-yl)pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-5-(dithiolan-3-yl)pentan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-5-(dithiolan-3-yl)pentan-1-one Formula: C20H30N2OS2 MolecularWeight: 378.595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N2OS2/c23-20(10-5-4-9-19-11-16-24-25-19)22-13-6-12-21(14-15-22)17-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2