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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-4-phenyl-N-piperonyl-piperidine-1-carbothioamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O2S/c22-14-21(17-4-2-1-3-5-17)8-10-24(11-9-21)20(27)23-13-16-6-7-18-19(12-16)26-15-25-18/h1-7,12H,8-11,13,15H2,(H,23,27)