N-(1-adamantyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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