ethyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-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=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F

InChI

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