1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-(2-hydroxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-(piperonylthiocarbamoyl)isonipecotamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2O)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2O)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4S/c25-17-4-2-1-3-16(17)23-20(26)15-7-9-24(10-8-15)21(29)22-12-14-5-6-18-19(11-14)28-13-27-18/h1-6,11,15,25H,7-10,12-13H2,(H,22,29)(H,23,26)