ethyl 4-[[3-[(4-fluorophenyl)methylamino]pyridin-4-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(4-fluorophenyl)methylamino]pyridin-4-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-[(4-fluorophenyl)methylamino]-4-pyridyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[3-[(4-fluorophenyl)methylamino]-4-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-fluorophenyl)methylamino]pyridin-4-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[3-[(4-fluorobenzyl)amino]-4-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H26FN5O2S MolecularWeight: 431.526843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=NC=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=NC=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O2S/c1-2-29-21(28)27-11-8-17(9-12-27)25-20(30)26-18-7-10-23-14-19(18)24-13-15-3-5-16(22)6-4-15/h3-7,10,14,17,24H,2,8-9,11-13H2,1H3,(H2,23,25,26,30)