ethyl 1-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)nipecotic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-2-24-17(23)13-7-6-10-20(12-13)16(22)15-11-19-18(25)21(15)14-8-4-3-5-9-14/h3-5,8-9,11,13H,2,6-7,10,12H2,1H3,(H,19,25)