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

Systemtic Name: [4-[(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(butylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(butylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(butylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C)OC

Isomeric SMILES

CCCCNC(=S)NN=CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C)OC

InChI

InChI=1S/C21H27N3O4S2/c1-5-6-11-22-21(29)24-23-14-17-9-10-18(19(13-17)27-4)28-30(25,26)20-12-15(2)7-8-16(20)3/h7-10,12-14H,5-6,11H2,1-4H3,(H2,22,24,29)