N'-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]adamantane-1-carbohydrazide CAS Name: N'-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]adamantane-1-carbohydrazide Formula: C21H27BrN2O2S MolecularWeight: 451.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27BrN2O2S/c1-12-4-18(13(2)3-17(12)22)27-11-19(25)23-24-20(26)21-8-14-5-15(9-21)7-16(6-14)10-21/h3-4,14-16H,5-11H2,1-2H3,(H,23,25)(H,24,26)