2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-tert-butyl-2-methoxy-phenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-tert-butyl-2-methoxy-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(5-tert-butyl-2-methoxy-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(5-tert-butyl-2-methoxyphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(5-tert-butyl-2-methoxyphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(5-tert-butyl-2-methoxy-phenyl)benzamide Formula: C30H38N2O3S MolecularWeight: 506.69932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O3S/c1-29(2,3)22-9-10-25(35-4)24(14-22)31-28(34)23-7-5-6-8-26(23)36-18-27(33)32-30-15-19-11-20(16-30)13-21(12-19)17-30/h5-10,14,19-21H,11-13,15-18H2,1-4H3,(H,31,34)(H,32,33)