2-[[2-(benzotriazol-1-yl)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(benzotriazol-1-yl)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-(1-benzotriazolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[2-(benzotriazol-1-yl)acetyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H20N7OS+ MolecularWeight: 322.4092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H19N7OS/c1-19(2)8-7-14-13(22)17-16-12(21)9-20-11-6-4-3-5-10(11)15-18-20/h3-6H,7-9H2,1-2H3,(H,16,21)(H2,14,17,22)/p+1