ethyl 4-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylhydrazinylidene]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylhydrazinylidene]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazono]piperidine-1-carboxylate CAS Name: 4-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]hydrazinylidene]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinylidene]piperidine-1-carboxylate Traditional Name: 4-[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]hydrazono]piperidine-1-carboxylic acid ethyl ester Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CC1

Isomeric SMILES

CCOC(=O)N1CCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CC1

InChI

InChI=1S/C23H25N5O3S/c1-2-31-23(30)28-13-11-18(12-14-28)26-27-21(29)17-9-7-16(8-10-17)15-32-22-24-19-5-3-4-6-20(19)25-22/h3-10H,2,11-15H2,1H3,(H,24,25)(H,27,29)