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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[2-morpholino-2-(2-thienyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[2-morpholino-2-(2-thienyl)ethyl]benzamide Formula: C29H37N3O3S2 MolecularWeight: 539.75238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6

InChI

InChI=1S/C29H37N3O3S2/c33-27(31-29-15-20-12-21(16-29)14-22(13-20)17-29)19-37-25-5-2-1-4-23(25)28(34)30-18-24(26-6-3-11-36-26)32-7-9-35-10-8-32/h1-6,11,20-22,24H,7-10,12-19H2,(H,30,34)(H,31,33)