1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenylpiperidine-4-carboxamide Traditional Name: N-phenyl-1-(piperonylthiocarbamoyl)isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c25-20(23-17-4-2-1-3-5-17)16-8-10-24(11-9-16)21(28)22-13-15-6-7-18-19(12-15)27-14-26-18/h1-7,12,16H,8-11,13-14H2,(H,22,28)(H,23,25)