N-(3,5-dimethylphenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C27H30N2OS MolecularWeight: 430.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C27H30N2OS/c1-20-17-21(2)19-25(18-20)28-26(31)29-15-13-24(14-16-29)27(30,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,30H,13-16H2,1-2H3,(H,28,31)