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4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide

4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide

Systemtic Name:4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
Openeye Name:4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
CAS Name:4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)-1-piperazinecarbothioamide
IUPAC Name:4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
Traditional Name:4-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
Formula: C22H29N3O2S
MolecularWeight: 399.54956
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC6=C(C=C5)OCO6


Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC6=C(C=C5)OCO6


InChI

InChI=1S/C22H29N3O2S/c28-22(23-18-1-2-19-20(12-18)27-13-26-19)25-5-3-24(4-6-25)21-16-8-14-7-15(10-16)11-17(21)9-14/h1-2,12,14-17,21H,3-11,13H2,(H,23,28)


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