2-diethylaminoethyl (1E)-4-bromanyl-N-oxidanyl-benzenecarboximidothioate; sulfuric acid

Systemtic Name: 2-diethylaminoethyl (1E)-4-bromanyl-N-oxidanyl-benzenecarboximidothioate; sulfuric acid Openeye Name: 2-diethylaminoethyl (1E)-4-bromo-N-hydroxy-benzenecarboximidothioate; sulfuric acid CAS Name: (1E)-4-bromo-N-hydroxybenzenecarboximidothioic acid 2-diethylaminoethyl ester; sulfuric acid IUPAC Name: 2-diethylaminoethyl (1E)-4-bromo-N-hydroxybenzenecarboximidothioate; sulfuric acid Traditional Name: (1E)-4-bromo-N-hydroxy-benzenecarboximidothioic acid 2-diethylaminoethyl ester; sulfuric acid Formula: C26H40Br2N4O6S3 MolecularWeight: 760.622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=NO)C1=CC=C(C=C1)Br.CCN(CC)CCSC(=NO)C1=CC=C(C=C1)Br.OS(=O)(=O)O

Isomeric SMILES

CCN(CCS/C(=N/O)/C1=CC=C(C=C1)Br)CC.CCN(CCS/C(=N/O)/C1=CC=C(C=C1)Br)CC.OS(=O)(=O)O

InChI

InChI=1S/2C13H19BrN2OS.H2O4S/c2*1-3-16(4-2)9-10-18-13(15-17)11-5-7-12(14)8-6-11;1-5(2,3)4/h2*5-8,17H,3-4,9-10H2,1-2H3;(H2,1,2,3,4)/b2*15-13+;