ethyl 1-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-3-27-19(26)16-9-11-23(12-10-16)18(25)14(2)28-20-22-17(13-24(20)21)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12,21H2,1-2H3