2-(2-bromanyl-4-carbamothioyl-6-methoxy-phenoxy)ethyl-diethyl-azanium

Systemtic Name: 2-(2-bromanyl-4-carbamothioyl-6-methoxy-phenoxy)ethyl-diethyl-azanium Openeye Name: 2-(2-bromo-4-carbamothioyl-6-methoxy-phenoxy)ethyl-diethyl-ammonium CAS Name: 2-(2-bromo-4-carbamothioyl-6-methoxyphenoxy)ethyl-diethylammonium IUPAC Name: 2-(2-bromo-4-carbamothioyl-6-methoxyphenoxy)ethyl-diethylazanium Traditional Name: 2-(2-bromo-6-methoxy-4-thiocarbamoyl-phenoxy)ethyl-diethyl-ammonium Formula: C14H22BrN2O2S+ MolecularWeight: 362.30568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1Br)C(=S)N)OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1Br)C(=S)N)OC

InChI

InChI=1S/C14H21BrN2O2S/c1-4-17(5-2)6-7-19-13-11(15)8-10(14(16)20)9-12(13)18-3/h8-9H,4-7H2,1-3H3,(H2,16,20)/p+1