N-(1-adamantyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-(2-furoyl)piperazine-1-carbothioamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27N3O2S/c24-18(17-2-1-7-25-17)22-3-5-23(6-4-22)19(26)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,26)