N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]-4-propyl-benzenesulfonamide Openeye Name: N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]-4-propyl-benzenesulfonamide CAS Name: N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]-4-propylbenzenesulfonamide IUPAC Name: N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]-4-propylbenzenesulfonamide Traditional Name: N-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethyl]-4-propyl-benzenesulfonamide Formula: C19H22N2O3S3 MolecularWeight: 422.58458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C19H22N2O3S3/c1-2-5-14-8-10-15(11-9-14)27(23,24)20-12-13-25-19-18(22)21-16-6-3-4-7-17(16)26-19/h3-4,6-11,19-20H,2,5,12-13H2,1H3,(H,21,22)