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

Systemtic Name: tert-butyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(4-fluorobenzyl)thiocarbamoylamino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27FN4O3S MolecularWeight: 410.506083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H27FN4O3S/c1-19(2,3)27-18(26)24-10-8-14(9-11-24)16(25)22-23-17(28)21-12-13-4-6-15(20)7-5-13/h4-7,14H,8-12H2,1-3H3,(H,22,25)(H2,21,23,28)