methyl 1-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-25-17(24)14-7-9-21(10-8-14)16(23)12-26-18-20-15(11-22(18)19)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12,19H2,1H3