2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-chlorophenyl)methyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-chlorophenyl)methyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[(4-chlorophenyl)methyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[(4-chlorophenyl)methyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(4-chlorophenyl)methyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-chlorobenzyl)benzamide Formula: C26H29ClN2O2S MolecularWeight: 469.03866

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN2O2S/c27-21-7-5-17(6-8-21)15-28-25(31)22-3-1-2-4-23(22)32-16-24(30)29-26-12-18-9-19(13-26)11-20(10-18)14-26/h1-8,18-20H,9-16H2,(H,28,31)(H,29,30)