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

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 5-(dithiolan-3-yl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 5-(dithiolan-3-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 5-(dithiolan-3-yl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]pentan-1-one Formula: C18H28N2OS3 MolecularWeight: 384.62272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2OS3/c21-18(5-2-1-4-17-7-13-23-24-17)20-9-3-8-19(10-11-20)14-16-6-12-22-15-16/h6,12,15,17H,1-5,7-11,13-14H2