4-(1-adamantyl)-N'-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]quinoline-2-carbohydrazide dihydrobromide

Systemtic Name: 4-(1-adamantyl)-N'-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]quinoline-2-carbohydrazide dihydrobromide Openeye Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-4-methylsulfanyl-butanoyl]quinoline-2-carbohydrazide dihydrobromide CAS Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-2-quinolinecarbohydrazide dihydrobromide IUPAC Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-4-methylsulfanylbutanoyl]quinoline-2-carbohydrazide dihydrobromide Traditional Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-4-(methylthio)butanoyl]quinaldohydrazide dihydrobromide Formula: C25H34Br2N4O2S MolecularWeight: 614.43606

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4)N.Br.Br

Isomeric SMILES

CSCC[C@@H](C(=O)NNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4)N.Br.Br

InChI

InChI=1S/C25H32N4O2S.2BrH/c1-32-7-6-20(26)23(30)28-29-24(31)22-11-19(18-4-2-3-5-21(18)27-22)25-12-15-8-16(13-25)10-17(9-15)14-25;;/h2-5,11,15-17,20H,6-10,12-14,26H2,1H3,(H,28,30)(H,29,31);2*1H/t15?,16?,17?,20-,25?;;/m0../s1