[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3S/c1-22-14-7-10(9-19-20-16(18)24)5-6-13(14)23-15(21)11-3-2-4-12(17)8-11/h2-9H,1H3,(H3,18,20,24)/b19-9+