[2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-bromo-6-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)N)Br)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24BrN3O3S/c1-26-16-6-14(10-23-24-19(22)28)5-15(21)17(16)27-18(25)20-7-11-2-12(8-20)4-13(3-11)9-20/h5-6,10-13H,2-4,7-9H2,1H3,(H3,22,24,28)/b23-10+