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

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] adamantane-1-carboxylate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-bromo-6-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-bromo-6-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-bromo-6-methoxy-phenyl] ester Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-3-4-25-22(31)27-26-13-17-8-18(24)20(19(9-17)29-2)30-21(28)23-10-14-5-15(11-23)7-16(6-14)12-23/h3,8-9,13-16H,1,4-7,10-12H2,2H3,(H2,25,27,31)/b26-13+