N-[2-(1-adamantylcarbamoyl)phenyl]-2-chloranyl-5-methylsulfanyl-benzamide

Systemtic Name: N-[2-(1-adamantylcarbamoyl)phenyl]-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-[2-(1-adamantylcarbamoyl)phenyl]-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-[2-[(1-adamantylamino)-oxomethyl]phenyl]-2-chloro-5-(methylthio)benzamide IUPAC Name: N-[2-(1-adamantylcarbamoyl)phenyl]-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-[2-(1-adamantylcarbamoyl)phenyl]-2-chloro-5-(methylthio)benzamide Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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