N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-26-18-13-17(19(27-2)12-16(18)22)24-20(28)25-10-8-21(14-23,9-11-25)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3,(H,24,28)