bis(azanyl)methylidene-[4-[(4-bromophenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(4-bromophenyl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: [4-[(4-bromobenzoyl)carbamothioylamino]phenyl]sulfonyl-(diaminomethylene)ammonium CAS Name: [4-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(diaminomethylidene)ammonium IUPAC Name: [4-[(4-bromobenzoyl)carbamothioylamino]phenyl]sulfonyl-(diaminomethylidene)azanium Traditional Name: [4-[(4-bromobenzoyl)thiocarbamoylamino]phenyl]sulfonyl-(diaminomethylene)ammonium Formula: C15H15BrN5O3S2+ MolecularWeight: 457.3453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N)Br

InChI

InChI=1S/C15H14BrN5O3S2/c16-10-3-1-9(2-4-10)13(22)20-15(25)19-11-5-7-12(8-6-11)26(23,24)21-14(17)18/h1-8H,(H4,17,18,21)(H2,19,20,22,25)/p+1