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

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 5-(dithiolan-3-yl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 5-(dithiolan-3-yl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 5-(dithiolan-3-yl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Formula: C17H27N3OS3 MolecularWeight: 385.61078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=NC=CS3

InChI

InChI=1S/C17H27N3OS3/c21-17(5-2-1-4-15-6-12-23-24-15)20-9-3-8-19(10-11-20)14-16-18-7-13-22-16/h7,13,15H,1-6,8-12,14H2