4-cyano-N-(2-methoxy-5-phenyl-phenyl)-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-cyano-N-(2-methoxy-5-phenyl-phenyl)-4-phenyl-piperidine-1-carbothioamide Openeye Name: 4-cyano-N-(2-methoxy-5-phenyl-phenyl)-4-phenyl-piperidine-1-carbothioamide CAS Name: 4-cyano-N-(2-methoxy-5-phenylphenyl)-4-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-cyano-N-(2-methoxy-5-phenylphenyl)-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-N-(2-methoxy-5-phenyl-phenyl)-4-phenyl-piperidine-1-carbothioamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS/c1-30-24-13-12-21(20-8-4-2-5-9-20)18-23(24)28-25(31)29-16-14-26(19-27,15-17-29)22-10-6-3-7-11-22/h2-13,18H,14-17H2,1H3,(H,28,31)