tert-butyl 4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(2-fluoroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-fluorophenyl)thiocarbamoylamino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25FN4O3S MolecularWeight: 396.479503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C18H25FN4O3S/c1-18(2,3)26-17(25)23-10-8-12(9-11-23)15(24)21-22-16(27)20-14-7-5-4-6-13(14)19/h4-7,12H,8-11H2,1-3H3,(H,21,24)(H2,20,22,27)