N-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[(2R)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C24H32FN3O2S MolecularWeight: 445.593183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1[C@@H](CNC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H32FN3O2S/c25-20-3-1-19(2-4-20)21(28-5-7-30-8-6-28)15-26-23(31)27-22(29)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18,21H,5-15H2,(H2,26,27,29,31)/t16?,17?,18?,21-,24?/m0/s1