ethyl 4-[4-(2-methylsulfanylimidazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-methylsulfanylimidazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(2-methylsulfanylimidazol-1-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[2-(methylthio)-1-imidazolyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylsulfanylimidazol-1-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(methylthio)imidazol-1-yl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CN=C3SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CN=C3SC

InChI

InChI=1S/C18H22N4O3S/c1-3-25-18(24)21-12-10-20(11-13-21)16(23)14-4-6-15(7-5-14)22-9-8-19-17(22)26-2/h4-9H,3,10-13H2,1-2H3