[5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=NNC(=S)N)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)/C=N/NC(=S)N)OC

InChI

InChI=1S/C17H18N4O5S2/c1-11(22)20-13-4-6-14(7-5-13)28(23,24)26-16-9-12(3-8-15(16)25-2)10-19-21-17(18)27/h3-10H,1-2H3,(H,20,22)(H3,18,21,27)/b19-10+