N-[(4-chlorophenyl)methyl]-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2OS/c27-24-13-11-20(12-14-24)19-28-25(31)29-17-15-23(16-18-29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,30H,15-19H2,(H,28,31)