ethyl 4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O3S/c1-2-26-18(25)22-11-9-21(10-12-22)16(24)13-27-17-20-7-8-23(17)15-5-3-14(19)4-6-15/h3-8H,2,9-13H2,1H3