(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-piperidine-1-carbothioamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-piperidine-1-carbothioamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-piperidine-1-carbothioamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-1-piperidinecarbothioamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethylpiperidine-1-carbothioamide Traditional Name: (2S)-2-ethyl-N-piperonyl-piperidine-1-carbothioamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@H]1CCCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O2S/c1-2-13-5-3-4-8-18(13)16(21)17-10-12-6-7-14-15(9-12)20-11-19-14/h6-7,9,13H,2-5,8,10-11H2,1H3,(H,17,21)/t13-/m0/s1