N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C32H29ClN2O2S MolecularWeight: 541.10286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H29ClN2O2S/c33-27-16-17-29(28(22-27)30(36)23-10-4-1-5-11-23)34-31(38)35-20-18-26(19-21-35)32(37,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,22,26,37H,18-21H2,(H,34,38)