2-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H21N6OS2+ MolecularWeight: 353.48614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H20N6OS2/c1-20(2)8-7-15-13(22)19-18-12(21)9-16-14-17-10-5-3-4-6-11(10)23-14/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,21)(H2,15,19,22)/p+1