2-(1-adamantylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H26N2O3S/c1-12-3-4-17(22(24)25)19(13(12)2)21-18(23)11-26-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3,(H,21,23)