[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-iodo-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-iodo-6-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H14IN3O3S MolecularWeight: 455.27013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3O3S/c1-22-13-8-10(9-19-20-16(18)24)7-12(17)14(13)23-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,20,24)/b19-9+