[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-ethyl-azanium

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-ethyl-azanium Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-ethyl-ammonium CAS Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(5-bromo-2-thiophenyl)methyl]-ethylammonium IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-ethylazanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[2-keto-2-(piazthiol-4-ylamino)ethyl]ammonium Formula: C15H16BrN4OS2+ MolecularWeight: 412.34774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H15BrN4OS2/c1-2-20(8-10-6-7-13(16)22-10)9-14(21)17-11-4-3-5-12-15(11)19-23-18-12/h3-7H,2,8-9H2,1H3,(H,17,21)/p+1