[[(4-bromophenyl)carbamothioylamino]-phenyl-methylidene]-(phenylsulfonylmethyl)azanium

Systemtic Name: [[(4-bromophenyl)carbamothioylamino]-phenyl-methylidene]-(phenylsulfonylmethyl)azanium Openeye Name: benzenesulfonylmethyl-[[(4-bromophenyl)carbamothioylamino]-phenyl-methylene]ammonium CAS Name: benzenesulfonylmethyl-[[[(4-bromoanilino)-sulfanylidenemethyl]amino]-phenylmethylidene]ammonium IUPAC Name: benzenesulfonylmethyl-[[(4-bromophenyl)carbamothioylamino]-phenylmethylidene]azanium Traditional Name: besylmethyl-[[(4-bromophenyl)thiocarbamoylamino]-phenyl-methylene]ammonium Formula: C21H19BrN3O2S2+ MolecularWeight: 489.42846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=[NH+]CS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=[NH+]CS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O2S2/c22-17-11-13-18(14-12-17)24-21(28)25-20(16-7-3-1-4-8-16)23-15-29(26,27)19-9-5-2-6-10-19/h1-14H,15H2,(H2,23,24,25,28)/p+1