1-(1-adamantyl)-3-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-(2-furylmethylcarbamothioyl)-4-piperidyl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(2-furfurylthiocarbamoyl)-4-piperidyl]urea Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=S)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=S)NCC5=CC=CO5

InChI

InChI=1S/C22H32N4O2S/c27-20(25-22-11-15-8-16(12-22)10-17(9-15)13-22)24-18-3-5-26(6-4-18)21(29)23-14-19-2-1-7-28-19/h1-2,7,15-18H,3-6,8-14H2,(H,23,29)(H2,24,25,27)