(phenylmethyl) 4-[[5-(2-azanyl-2-sulfanylidene-ethyl)imidazol-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[5-(2-azanyl-2-sulfanylidene-ethyl)imidazol-1-yl]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[5-(2-amino-2-thioxo-ethyl)imidazol-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[5-(2-amino-2-sulfanylideneethyl)-1-imidazolyl]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[5-(2-amino-2-sulfanylideneethyl)imidazol-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(2-amino-2-thioxo-ethyl)imidazol-1-yl]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=NC=C2CC(=S)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CN2C=NC=C2CC(=S)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c20-18(26)10-17-11-21-14-23(17)12-15-6-8-22(9-7-15)19(24)25-13-16-4-2-1-3-5-16/h1-5,11,14-15H,6-10,12-13H2,(H2,20,26)