2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2-morpholinophenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-(4-morpholinyl)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-morpholinophenyl)benzamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O3S/c33-27(31-29-16-20-13-21(17-29)15-22(14-20)18-29)19-36-26-8-4-1-5-23(26)28(34)30-24-6-2-3-7-25(24)32-9-11-35-12-10-32/h1-8,20-22H,9-19H2,(H,30,34)(H,31,33)