3-[[2-(benzotriazol-1-yl)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(benzotriazol-1-yl)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(1-benzotriazolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(benzotriazol-1-yl)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H22N7OS+ MolecularWeight: 336.43578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N7OS/c1-20(2)9-5-8-15-14(23)18-17-13(22)10-21-12-7-4-3-6-11(12)16-19-21/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,22)(H2,15,18,23)/p+1