N-[3-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamoyl]-1-adamantyl]ethanamide

Systemtic Name: N-[3-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamoyl]-1-adamantyl]ethanamide Openeye Name: N-[3-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamoyl]-1-adamantyl]acetamide CAS Name: N-[3-[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]hydrazo]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamoyl]-1-adamantyl]acetamide Traditional Name: N-[3-[[3-[(4-fluorophenyl)thio]propanoylamino]carbamoyl]-1-adamantyl]acetamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN3O3S/c1-14(27)24-22-11-15-8-16(12-22)10-21(9-15,13-22)20(29)26-25-19(28)6-7-30-18-4-2-17(23)3-5-18/h2-5,15-16H,6-13H2,1H3,(H,24,27)(H,25,28)(H,26,29)