N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-(2-furylmethylcarbamothioyl)-4-piperidyl]adamantane-1-carboxamide CAS Name: N-[1-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]-1-adamantanecarboxamide IUPAC Name: N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2-furfurylthiocarbamoyl)-4-piperidyl]adamantane-1-carboxamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)C(=S)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)C(=S)NCC5=CC=CO5

InChI

InChI=1S/C22H31N3O2S/c26-20(22-11-15-8-16(12-22)10-17(9-15)13-22)24-18-3-5-25(6-4-18)21(28)23-14-19-2-1-7-27-19/h1-2,7,15-18H,3-6,8-14H2,(H,23,28)(H,24,26)