2-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(3-bromoanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3-bromophenyl)thiocarbamoylamino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H19BrN5S2+ MolecularWeight: 377.34676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=S)NC1=CC(=CC=C1)Br

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=S)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C12H18BrN5S2/c1-18(2)7-6-14-11(19)16-17-12(20)15-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3,(H2,14,16,19)(H2,15,17,20)/p+1