ethyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-fluorophenyl)methylthio]-3-methyl-5-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-3-methylbenzimidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-3-methyl-benzimidazole-5-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3S/c1-3-31-23(30)28-12-10-27(11-13-28)21(29)17-6-9-19-20(14-17)26(2)22(25-19)32-15-16-4-7-18(24)8-5-16/h4-9,14H,3,10-13,15H2,1-2H3