2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,4-dimethylphenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,4-dimethylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2,4-dimethylphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2,4-dimethylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2,4-dimethylphenyl)benzamide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H32N2O2S/c1-17-7-8-23(18(2)9-17)28-26(31)22-5-3-4-6-24(22)32-16-25(30)29-27-13-19-10-20(14-27)12-21(11-19)15-27/h3-9,19-21H,10-16H2,1-2H3,(H,28,31)(H,29,30)