4-cyano-N-(2,4-dimethoxyphenyl)-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-cyano-N-(2,4-dimethoxyphenyl)-4-phenyl-piperidine-1-carbothioamide Openeye Name: 4-cyano-N-(2,4-dimethoxyphenyl)-4-phenyl-piperidine-1-carbothioamide CAS Name: 4-cyano-N-(2,4-dimethoxyphenyl)-4-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-cyano-N-(2,4-dimethoxyphenyl)-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-N-(2,4-dimethoxyphenyl)-4-phenyl-piperidine-1-carbothioamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O2S/c1-25-17-8-9-18(19(14-17)26-2)23-20(27)24-12-10-21(15-22,11-13-24)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,23,27)