[3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S2/c1-11(21)19-13-5-7-15(8-6-13)26(22,23)24-14-4-2-3-12(9-14)10-18-20-16(17)25/h2-10H,1H3,(H,19,21)(H3,17,20,25)/b18-10+