1-(3-azanyl-2-piperazin-1-yl-phenyl)-5-(1,2-dithiolan-3-yl)pentan-1-one

Systemtic Name: 1-(3-azanyl-2-piperazin-1-yl-phenyl)-5-(1,2-dithiolan-3-yl)pentan-1-one Openeye Name: 1-(3-amino-2-piperazin-1-yl-phenyl)-5-(dithiolan-3-yl)pentan-1-one CAS Name: 1-[3-amino-2-(1-piperazinyl)phenyl]-5-(3-dithiolanyl)-1-pentanone IUPAC Name: 1-(3-amino-2-piperazin-1-ylphenyl)-5-(dithiolan-3-yl)pentan-1-one Traditional Name: 1-(3-amino-2-piperazino-phenyl)-5-(dithiolan-3-yl)pentan-1-one Formula: C18H27N3OS2 MolecularWeight: 365.55648

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)C2=C(C(=CC=C2)N)N3CCNCC3

Isomeric SMILES

C1CSSC1CCCCC(=O)C2=C(C(=CC=C2)N)N3CCNCC3

InChI

InChI=1S/C18H27N3OS2/c19-16-6-3-5-15(18(16)21-11-9-20-10-12-21)17(22)7-2-1-4-14-8-13-23-24-14/h3,5-6,14,20H,1-2,4,7-13,19H2