2-(1-adamantyl)-N'-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]ethanehydrazide

Systemtic Name: 2-(1-adamantyl)-N'-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]ethanehydrazide Openeye Name: 2-(1-adamantyl)-N'-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]acetohydrazide CAS Name: 2-(1-adamantyl)-N'-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]acetohydrazide IUPAC Name: 2-(1-adamantyl)-N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]acetohydrazide Traditional Name: 2-(1-adamantyl)-N'-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]acetohydrazide Formula: C21H27BrN2O2S MolecularWeight: 451.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27BrN2O2S/c1-13-4-17(22)2-3-18(13)27-12-20(26)24-23-19(25)11-21-8-14-5-15(9-21)7-16(6-14)10-21/h2-4,14-16H,5-12H2,1H3,(H,23,25)(H,24,26)