(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-methylol-N-piperonyl-piperidine-1-carbothioamide Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)CO

Isomeric SMILES

C1C[C@H](CN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)CO

InChI

InChI=1S/C15H20N2O3S/c18-9-12-2-1-5-17(8-12)15(21)16-7-11-3-4-13-14(6-11)20-10-19-13/h3-4,6,12,18H,1-2,5,7-10H2,(H,16,21)/t12-/m1/s1