(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3R)-3-[[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3R)-3-[[(4-fluorophenyl)thiocarbamoylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN5O2S/c21-15-8-10-17(11-9-15)22-19(29)25-24-18(27)14-5-4-12-26(13-14)20(28)23-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2,(H,23,28)(H,24,27)(H2,22,25,29)/t14-/m1/s1