N-(1,3-benzodioxol-5-yl)-1-(3-bicyclo[2.2.1]heptanylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-bicyclo[2.2.1]heptanylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(norbornan-2-ylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bicyclo[2.2.1]heptanylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-bicyclo[2.2.1]heptanylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-norbornylthiocarbamoyl)isonipecotamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2NC(=S)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2CC1CC2NC(=S)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27N3O3S/c25-20(22-16-3-4-18-19(11-16)27-12-26-18)14-5-7-24(8-6-14)21(28)23-17-10-13-1-2-15(17)9-13/h3-4,11,13-15,17H,1-2,5-10,12H2,(H,22,25)(H,23,28)