butyl 1-[4-(carbamothioylamino)-2-fluoranyl-phenyl]piperidine-4-carboxylate

Systemtic Name: butyl 1-[4-(carbamothioylamino)-2-fluoranyl-phenyl]piperidine-4-carboxylate Openeye Name: butyl 1-[4-(carbamothioylamino)-2-fluoro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-(carbamothioylamino)-2-fluorophenyl]-4-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 1-[4-(carbamothioylamino)-2-fluorophenyl]piperidine-4-carboxylate Traditional Name: 1-(2-fluoro-4-thioureido-phenyl)isonipecotic acid butyl ester Formula: C17H24FN3O2S MolecularWeight: 353.454763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)N)F

Isomeric SMILES

CCCCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)N)F

InChI

InChI=1S/C17H24FN3O2S/c1-2-3-10-23-16(22)12-6-8-21(9-7-12)15-5-4-13(11-14(15)18)20-17(19)24/h4-5,11-12H,2-3,6-10H2,1H3,(H3,19,20,24)