N-[4-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-methoxy-4-(methylthio)benzoyl]amino]phenyl]adamantane-1-carboxamide Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O3S/c1-31-23-12-21(32-2)7-8-22(23)24(29)27-19-3-5-20(6-4-19)28-25(30)26-13-16-9-17(14-26)11-18(10-16)15-26/h3-8,12,16-18H,9-11,13-15H2,1-2H3,(H,27,29)(H,28,30)