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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O2S/c21-13-20(15-4-2-1-3-5-15)8-10-23(11-9-20)19(26)22-16-6-7-17-18(12-16)25-14-24-17/h1-7,12H,8-11,14H2,(H,22,26)