N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzyl-piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzylpiperidine-1-carbothioamide Traditional Name: 4-benzyl-N-piperonyl-piperidine-1-carbothioamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O2S/c26-21(22-14-18-6-7-19-20(13-18)25-15-24-19)23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2,(H,22,26)