S-[2,5-bis(oxidanyl)phenyl] N-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioate

Systemtic Name: S-[2,5-bis(oxidanyl)phenyl] N-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioate Openeye Name: S-(2,5-dihydroxyphenyl) N-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioate CAS Name: N-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]carbamothioic acid S-(2,5-dihydroxyphenyl) ester IUPAC Name: S-(2,5-dihydroxyphenyl) N-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioate Traditional Name: N-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamic acid S-(2,5-dihydroxyphenyl) ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNNC(=O)SC2=C(C=CC(=C2)O)O

Isomeric SMILES

C1=CC(=O)C=CC1=CNNC(=O)SC2=C(C=CC(=C2)O)O

InChI

InChI=1S/C14H12N2O4S/c17-10-3-1-9(2-4-10)8-15-16-14(20)21-13-7-11(18)5-6-12(13)19/h1-8,15,18-19H,(H,16,20)