N-(1-adamantyl)-4-(4-bromophenyl)-4-oxidanyl-piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-(4-bromophenyl)-4-oxidanyl-piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-(4-bromophenyl)-4-hydroxy-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbothioamide Formula: C22H29BrN2OS MolecularWeight: 449.44746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29BrN2OS/c23-19-3-1-18(2-4-19)22(26)5-7-25(8-6-22)20(27)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17,26H,5-14H2,(H,24,27)