N-(1,3-benzodioxol-5-yl)-1-(prop-2-enylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(prop-2-enylcarbamothioyl)piperidine-4-carboxamide Openeye Name: 1-(allylcarbamothioyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(prop-2-enylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(prop-2-enylcarbamothioyl)piperidine-4-carboxamide Traditional Name: 1-(allylthiocarbamoyl)-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-2-7-18-17(24)20-8-5-12(6-9-20)16(21)19-13-3-4-14-15(10-13)23-11-22-14/h2-4,10,12H,1,5-9,11H2,(H,18,24)(H,19,21)