ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C18H24N4O4S/c1-3-25-13-5-6-14-15(11-13)20-17(19-14)27-12-16(23)21-7-9-22(10-8-21)18(24)26-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,20)