N-(1-adamantyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(methylthio)-3-nitro-benzamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-24-16-3-2-14(7-15(16)20(22)23)17(21)19-18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,19,21)