ethyl 1-ethyl-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-benzyl-1-piperidyl)methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperidin-1-yl)methyl]-1-ethyl-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 3-[(4-benzylpiperidino)methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2S/c1-3-27-22-11-10-21(24(29)30-4-2)17-23(22)28(25(27)31)18-26-14-12-20(13-15-26)16-19-8-6-5-7-9-19/h5-11,17,20H,3-4,12-16,18H2,1-2H3