ethyl 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-fluorobenzyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2S/c1-2-27-20(26)17-5-9-19(10-6-17)23-21(28)25-13-11-24(12-14-25)15-16-3-7-18(22)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,28)