N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OC)Cl

InChI

InChI=1S/C27H29ClN2O3S/c1-32-24-18-23(25(33-2)17-22(24)28)29-26(34)30-15-13-21(14-16-30)27(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21,31H,13-16H2,1-2H3,(H,29,34)