methyl 2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(=CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(=CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O2S/c1-25-19(24)17-4-2-3-5-18(17)22-20(26)23-12-10-15(11-13-23)14-6-8-16(21)9-7-14/h2-10H,11-13H2,1H3,(H,22,26)