4-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-piperidine-1-carbothioamide Openeye Name: 4-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-piperidine-1-carbothioamide CAS Name: 4-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-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)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

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