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

Systemtic Name: N-(4-ethanoylphenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O2S/c1-20(30)21-12-14-25(15-13-21)28-26(32)29-18-16-24(17-19-29)27(31,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,31H,16-19H2,1H3,(H,28,32)