4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzamide

Systemtic Name: 4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzamide Openeye Name: 4-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzamide CAS Name: 4-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]benzamide IUPAC Name: 4-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]benzamide Traditional Name: 4-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]benzamide Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C14H12N2O3S/c15-13(19)8-1-3-9(4-2-8)16-14(20)11-6-5-10(17)7-12(11)18/h1-7,16,18,20H,(H2,15,19)/b14-11+