ethyl 4-[[4-[(4-fluorophenyl)amino]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(4-fluorophenyl)amino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-fluoroanilino)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-fluoroanilino)piperidine-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)N2CCC(CC2)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC3=CC=C(C=C3)F

InChI

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