ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S/c1-2-26-19(25)15-4-3-5-17(14-15)22-20(27)24-12-10-23(11-13-24)18-8-6-16(21)7-9-18/h3-9,14H,2,10-13H2,1H3,(H,22,27)