N-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: N-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-(1,1-dioxo-1,2-benzothiazol-3-yl)-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-(1,1-dioxo-1,2-benzothiazol-3-yl)-N',N'-diethylethane-1,2-diamine IUPAC Name: N-(1,1-dioxo-1,2-benzothiazol-3-yl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl-diethyl-amine Formula: C13H19N3O2S MolecularWeight: 281.37386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCN(CC)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H19N3O2S/c1-3-16(4-2)10-9-14-13-11-7-5-6-8-12(11)19(17,18)15-13/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)