[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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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)NC(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC(C)C)OC

InChI

InChI=1S/C20H25N3O4S2/c1-13(2)22-20(28)23-21-12-16-8-9-17(18(11-16)26-5)27-29(24,25)19-10-14(3)6-7-15(19)4/h6-13H,1-5H3,(H2,22,23,28)/b21-12+