N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[2-(1-adamantylthiocarbamoylamino)ethyl]piperazine-1-carbothioamide Formula: C28H45N5S2 MolecularWeight: 515.8204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=S)NC23CC4CC(C2)CC(C4)C3)C(=S)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1CCNC(=S)NC23CC4CC(C2)CC(C4)C3)C(=S)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H45N5S2/c34-25(30-27-13-19-7-20(14-27)9-21(8-19)15-27)29-1-2-32-3-5-33(6-4-32)26(35)31-28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,1-18H2,(H,31,35)(H2,29,30,34)