N-(1-adamantyl)-4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[bis(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioamide Formula: C28H33F2N3S MolecularWeight: 481.643526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H33F2N3S/c29-24-5-1-22(2-6-24)26(23-3-7-25(30)8-4-23)32-9-11-33(12-10-32)27(34)31-28-16-19-13-20(17-28)15-21(14-19)18-28/h1-8,19-21,26H,9-18H2,(H,31,34)