5-(1,2-dithiolan-3-yl)-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]pentanamide

Systemtic Name: 5-(1,2-dithiolan-3-yl)-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]pentanamide Openeye Name: 5-(dithiolan-3-yl)-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]pentanamide CAS Name: 5-(3-dithiolanyl)-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]pentanamide IUPAC Name: 5-(dithiolan-3-yl)-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]pentanamide Traditional Name: 5-(dithiolan-3-yl)-N-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethyl]valeramide Formula: C18H24N2O2S4 MolecularWeight: 428.65536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C1CSSC1CCCCC(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C18H24N2O2S4/c21-16(8-4-1-5-13-9-11-24-26-13)19-10-12-23-18-17(22)20-14-6-2-3-7-15(14)25-18/h2-3,6-7,13,18H,1,4-5,8-12H2,(H,19,21)(H,20,22)