2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(2-fluorophenyl)methyl]-N-methyl-benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(2-fluorophenyl)methyl]-N-methyl-benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[(2-fluorophenyl)methyl]-N-methyl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[(2-fluorophenyl)methyl]-N-methylbenzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-fluorobenzyl)-N-methyl-benzamide Formula: C27H31FN2O2S MolecularWeight: 466.610643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1F)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=CC=CC=C1F)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31FN2O2S/c1-30(16-21-6-2-4-8-23(21)28)26(32)22-7-3-5-9-24(22)33-17-25(31)29-27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20H,10-17H2,1H3,(H,29,31)