2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2-bromoanilino)-2-oxo-ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-(2-bromoanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2-bromoanilino)-2-oxoethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2-bromoanilino)-2-keto-ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H20BrN4OS+ MolecularWeight: 360.2931

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NCC(=O)NC1=CC=CC=C1Br

Isomeric SMILES

C[NH+](C)CCNC(=S)NCC(=O)NC1=CC=CC=C1Br

InChI

InChI=1S/C13H19BrN4OS/c1-18(2)8-7-15-13(20)16-9-12(19)17-11-6-4-3-5-10(11)14/h3-6H,7-9H2,1-2H3,(H,17,19)(H2,15,16,20)/p+1