O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(2-bromophenyl)carbonylcarbamothioate

Systemtic Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(2-bromophenyl)carbonylcarbamothioate Openeye Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(2-bromobenzoyl)carbamothioate CAS Name: N-[(2-bromophenyl)-oxomethyl]carbamothioic acid O-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-(2-bromobenzoyl)carbamothioate Traditional Name: N-(2-bromobenzoyl)thiocarbamic acid O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C14H13BrN4O4S MolecularWeight: 413.24642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=S)NC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=S)NC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN4O4S/c1-9-16-8-12(19(21)22)18(9)6-7-23-14(24)17-13(20)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,17,20,24)