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

Systemtic Name: N-(1-adamantylmethyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-(methylthio)-3-nitro-benzamide Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O3S/c1-25-17-3-2-15(7-16(17)21(23)24)18(22)20-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,20,22)