N'-[2-(1-adamantyl)ethanoyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbohydrazide

Systemtic Name: N'-[2-(1-adamantyl)ethanoyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbohydrazide Openeye Name: N'-[2-(1-adamantyl)acetyl]-3-(cyclohexylsulfanylmethyl)benzofuran-2-carbohydrazide CAS Name: N'-[2-(1-adamantyl)-1-oxoethyl]-3-[(cyclohexylthio)methyl]-2-benzofurancarbohydrazide IUPAC Name: N'-[2-(1-adamantyl)acetyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbohydrazide Traditional Name: N'-[2-(1-adamantyl)acetyl]-3-[(cyclohexylthio)methyl]coumarilohydrazide Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NNC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NNC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N2O3S/c31-25(16-28-13-18-10-19(14-28)12-20(11-18)15-28)29-30-27(32)26-23(17-34-21-6-2-1-3-7-21)22-8-4-5-9-24(22)33-26/h4-5,8-9,18-21H,1-3,6-7,10-17H2,(H,29,31)(H,30,32)