ethyl 4-[[2-(1H-imidazol-2-ylmethyl)phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(1H-imidazol-2-ylmethyl)phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(1H-imidazol-2-ylmethyl)phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1H-imidazol-2-ylmethyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1H-imidazol-2-ylmethyl)phenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(1H-imidazol-2-ylmethyl)phenyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2CC3=NC=CN3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2CC3=NC=CN3

InChI

InChI=1S/C18H23N5O2S/c1-2-25-18(24)23-11-9-22(10-12-23)17(26)21-15-6-4-3-5-14(15)13-16-19-7-8-20-16/h3-8H,2,9-13H2,1H3,(H,19,20)(H,21,26)