N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorobenzyl)thiocarbamoyl]isonipecotamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c22-16-3-1-14(2-4-16)12-23-21(29)25-9-7-15(8-10-25)20(26)24-17-5-6-18-19(11-17)28-13-27-18/h1-6,11,15H,7-10,12-13H2,(H,23,29)(H,24,26)