4-(2-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C25H37N3O2S/c1-29-22-4-3-17(16-23(22)30-2)5-6-26-25(31)28-9-7-27(8-10-28)24-20-12-18-11-19(14-20)15-21(24)13-18/h3-4,16,18-21,24H,5-15H2,1-2H3,(H,26,31)