ethyl 2-[[(3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[(3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]acetate CAS Name: 2-[[[(3-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]acetate Traditional Name: 2-[[(3-fluorobenzyl)-(3-imidazol-1-ylpropyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C18H23FN4O2S MolecularWeight: 378.464223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C18H23FN4O2S/c1-2-25-17(24)12-21-18(26)23(9-4-8-22-10-7-20-14-22)13-15-5-3-6-16(19)11-15/h3,5-7,10-11,14H,2,4,8-9,12-13H2,1H3,(H,21,26)