N-(1,3-benzodioxol-5-yl)-1-(cyclohexylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(cyclohexylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(cyclohexylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(cyclohexylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(cyclohexylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(cyclohexylthiocarbamoyl)isonipecotamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O3S/c24-19(21-16-6-7-17-18(12-16)26-13-25-17)14-8-10-23(11-9-14)20(27)22-15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11,13H2,(H,21,24)(H,22,27)