2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-chloro-6-fluoro-benzyl)-N-methyl-benzamide Formula: C27H30ClFN2O2S MolecularWeight: 501.055703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30ClFN2O2S/c1-31(15-21-22(28)6-4-7-23(21)29)26(33)20-5-2-3-8-24(20)34-16-25(32)30-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-16H2,1H3,(H,30,32)