ethyl 4-[[2-[(4-fluorophenyl)amino]phenyl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-fluorophenyl)amino]phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-fluoroanilino)phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[2-(4-fluoroanilino)anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-fluoroanilino)phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-fluoroanilino)phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2S/c1-2-28-21(27)26-13-11-17(12-14-26)24-20(29)25-19-6-4-3-5-18(19)23-16-9-7-15(22)8-10-16/h3-10,17,23H,2,11-14H2,1H3,(H2,24,25,29)