ethyl 4-[[(4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(4-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(4-fluorobenzyl)-(3-imidazol-1-ylpropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN4O2S/c1-2-30-22(29)19-6-10-21(11-7-19)26-23(31)28(14-3-13-27-15-12-25-17-27)16-18-4-8-20(24)9-5-18/h4-12,15,17H,2-3,13-14,16H2,1H3,(H,26,31)