N-(1,3-benzodioxol-5-yl)-1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(2,3-dimethylphenyl)thiocarbamoyl]isonipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-14-4-3-5-18(15(14)2)24-22(29)25-10-8-16(9-11-25)21(26)23-17-6-7-19-20(12-17)28-13-27-19/h3-7,12,16H,8-11,13H2,1-2H3,(H,23,26)(H,24,29)