[4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazono]methyl]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(E)-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(E)-[(4-methoxyphenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18IN3O3S MolecularWeight: 531.36609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C22H18IN3O3S/c1-28-17-12-8-16(9-13-17)25-22(30)26-24-14-15-6-10-18(11-7-15)29-21(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H2,25,26,30)/b24-14+