[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-sulfonate

Systemtic Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-sulfonate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC=C)OS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NCC=C)OS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H21N3O4S2/c1-3-13-23-22(30)25-24-15-16-11-12-19(20(14-16)28-2)29-31(26,27)21-10-6-8-17-7-4-5-9-18(17)21/h3-12,14-15H,1,13H2,2H3,(H2,23,25,30)/b24-15+