2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O4S/c1-25-15-2-3-16(17(7-15)21(23)24)20-18(22)11-26-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,20,22)