4-(2-adamantyl)-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide Formula: C22H30ClN3OS MolecularWeight: 420.0111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H30ClN3OS/c1-27-20-3-2-18(23)13-19(20)24-22(28)26-6-4-25(5-7-26)21-16-9-14-8-15(11-16)12-17(21)10-14/h2-3,13-17,21H,4-12H2,1H3,(H,24,28)