N-(2,3-dimethylphenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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