2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-tert-butylphenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-tert-butylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2-tert-butylphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2-tert-butylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-tert-butylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-tert-butylphenyl)benzamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N2O2S/c1-28(2,3)23-9-5-6-10-24(23)30-27(33)22-8-4-7-11-25(22)34-18-26(32)31-29-15-19-12-20(16-29)14-21(13-19)17-29/h4-11,19-21H,12-18H2,1-3H3,(H,30,33)(H,31,32)