(3-azanyl-3-sulfanylidene-propyl)-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-amino-3-thioxo-propyl)-[2-(4-bromoanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-[2-(4-bromoanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-[2-(4-bromoanilino)-2-oxoethyl]-methylazanium Traditional Name: (3-amino-3-thioxo-propyl)-[2-(4-bromoanilino)-2-keto-ethyl]-methyl-ammonium Formula: C12H17BrN3OS+ MolecularWeight: 331.25188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=S)N)CC(=O)NC1=CC=C(C=C1)Br

Isomeric SMILES

C[NH+](CCC(=S)N)CC(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C12H16BrN3OS/c1-16(7-6-11(14)18)8-12(17)15-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H2,14,18)(H,15,17)/p+1