[3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(4-bromophenyl)carbamate

Systemtic Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(4-bromophenyl)carbamate Openeye Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H26BrN5O3S2 MolecularWeight: 516.47544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)NC3=CC=C(C=C3)Br)C)[O-]

Isomeric SMILES

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)NC3=CC=C(C=C3)Br)C)[O-]

InChI

InChI=1S/C19H26BrN5O3S2/c1-3-4-5-6-11-29-19-23-22-17(30-19)25(27)13-24(2)12-16(25)28-18(26)21-15-9-7-14(20)8-10-15/h7-10,16H,3-6,11-13H2,1-2H3,(H,21,26)