2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-chloranyl-2-morpholin-4-yl-phenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-chloranyl-2-morpholin-4-yl-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(5-chloro-2-morpholino-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[5-chloro-2-(4-morpholinyl)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(5-chloro-2-morpholino-phenyl)benzamide Formula: C29H34ClN3O3S MolecularWeight: 540.11656

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34ClN3O3S/c30-22-5-6-25(33-7-9-36-10-8-33)24(14-22)31-28(35)23-3-1-2-4-26(23)37-18-27(34)32-29-15-19-11-20(16-29)13-21(12-19)17-29/h1-6,14,19-21H,7-13,15-18H2,(H,31,35)(H,32,34)