ethyl 4-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[cyclohexyl-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[cyclohexyl-(4-fluorobenzyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H27FN2O2S MolecularWeight: 414.536083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C23H27FN2O2S/c1-2-28-22(27)18-10-14-20(15-11-18)25-23(29)26(21-6-4-3-5-7-21)16-17-8-12-19(24)13-9-17/h8-15,21H,2-7,16H2,1H3,(H,25,29)