3-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: 3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 3-[[[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 3-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC=C2C=CC(=O)C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC=C2C=CC(=O)C=C2)C(=O)[O-]

InChI

InChI=1S/C15H13N3O3S/c19-13-6-4-10(5-7-13)9-16-18-15(22)17-12-3-1-2-11(8-12)14(20)21/h1-9,16H,(H,20,21)(H2,17,18,22)/p-1