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

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 5-(dithiolan-3-yl)-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 5-(dithiolan-3-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 5-(dithiolan-3-yl)-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]pentan-1-one Formula: C19H29N3OS2 MolecularWeight: 379.58306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3OS2/c23-19(5-2-1-4-18-8-15-24-25-18)22-12-3-11-21(13-14-22)16-17-6-9-20-10-7-17/h6-7,9-10,18H,1-5,8,11-16H2