dimethyl-[2-[[(phenylmethyl)carbamothioylamino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(phenylmethyl)carbamothioylamino]carbamothioylamino]ethyl]azanium Openeye Name: 2-[(benzylcarbamothioylamino)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[(benzylcarbamothioylamino)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(benzylthiocarbamoylamino)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H22N5S2+ MolecularWeight: 312.47728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H21N5S2/c1-18(2)9-8-14-12(19)16-17-13(20)15-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,16,19)(H2,15,17,20)/p+1