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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-iodo-6-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-iodo-6-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H16IN3O4S MolecularWeight: 485.29611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)C=NNC(=S)N)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)/C=N/NC(=S)N)OC

InChI

InChI=1S/C17H16IN3O4S/c1-23-12-5-3-11(4-6-12)16(22)25-15-13(18)7-10(8-14(15)24-2)9-20-21-17(19)26/h3-9H,1-2H3,(H3,19,21,26)/b20-9+