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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluoroanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)thiocarbamoyl]isonipecotamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S/c21-14-1-3-15(4-2-14)23-20(28)24-9-7-13(8-10-24)19(25)22-16-5-6-17-18(11-16)27-12-26-17/h1-6,11,13H,7-10,12H2,(H,22,25)(H,23,28)