4-[[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzamide Openeye Name: 4-[[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl]sulfanylmethyl]benzamide CAS Name: 4-[[[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]thio]methyl]benzamide IUPAC Name: 4-[[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylmethyl]benzamide Traditional Name: 4-[[[2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl]thio]methyl]benzamide Formula: C27H31FN2O2S MolecularWeight: 466.610643

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSCC5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSCC5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C27H31FN2O2S/c28-24-7-3-18(4-8-24)15-30(27-12-20-9-21(13-27)11-22(10-20)14-27)25(31)17-33-16-19-1-5-23(6-2-19)26(29)32/h1-8,20-22H,9-17H2,(H2,29,32)