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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluoro-4-methylphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]isonipecotamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H22FN3O3S/c1-13-2-3-15(10-17(13)22)24-21(29)25-8-6-14(7-9-25)20(26)23-16-4-5-18-19(11-16)28-12-27-18/h2-5,10-11,14H,6-9,12H2,1H3,(H,23,26)(H,24,29)