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

Systemtic Name: ethyl 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(=CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(=CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2S/c1-2-26-20(25)17-5-9-19(10-6-17)23-21(27)24-13-11-16(12-14-24)15-3-7-18(22)8-4-15/h3-11H,2,12-14H2,1H3,(H,23,27)