N-[4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-chloro-5-methylsulfanyl-benzoyl)amino]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-chloro-5-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-chloro-5-(methylthio)benzoyl]amino]phenyl]adamantane-1-carboxamide Formula: C25H27ClN2O2S MolecularWeight: 455.01208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H27ClN2O2S/c1-31-20-6-7-22(26)21(11-20)23(29)27-18-2-4-19(5-3-18)28-24(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,27,29)(H,28,30)