4-(4-bromophenyl)-N-(2-methoxy-5-phenyl-phenyl)-4-oxidanyl-piperidine-1-carbothioamide

Systemtic Name: 4-(4-bromophenyl)-N-(2-methoxy-5-phenyl-phenyl)-4-oxidanyl-piperidine-1-carbothioamide Openeye Name: 4-(4-bromophenyl)-4-hydroxy-N-(2-methoxy-5-phenyl-phenyl)piperidine-1-carbothioamide CAS Name: 4-(4-bromophenyl)-4-hydroxy-N-(2-methoxy-5-phenylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(4-bromophenyl)-4-hydroxy-N-(2-methoxy-5-phenylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(4-bromophenyl)-4-hydroxy-N-(2-methoxy-5-phenyl-phenyl)piperidine-1-carbothioamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C25H25BrN2O2S/c1-30-23-12-7-19(18-5-3-2-4-6-18)17-22(23)27-24(31)28-15-13-25(29,14-16-28)20-8-10-21(26)11-9-20/h2-12,17,29H,13-16H2,1H3,(H,27,31)