[4-[(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(cyclohexylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(cyclohexylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3CCCCC3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3CCCCC3)OC

InChI

InChI=1S/C23H29N3O4S2/c1-16-9-10-17(2)22(13-16)32(27,28)30-20-12-11-18(14-21(20)29-3)15-24-26-23(31)25-19-7-5-4-6-8-19/h9-15,19H,4-8H2,1-3H3,(H2,25,26,31)