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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(butylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(butylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[butylamino(sulfanylidene)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(butylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(butylthiocarbamoyl)isonipecotamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O3S/c1-2-3-8-19-18(25)21-9-6-13(7-10-21)17(22)20-14-4-5-15-16(11-14)24-12-23-15/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,19,25)(H,20,22)