3-[[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: 3-[[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 3-[[[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 3-[[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoate Formula: C15H11ClN3O3S- MolecularWeight: 348.78414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC=C2C=C(C=CC2=O)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC=C2C=C(C=CC2=O)Cl)C(=O)[O-]

InChI

InChI=1S/C15H12ClN3O3S/c16-11-4-5-13(20)10(6-11)8-17-19-15(23)18-12-3-1-2-9(7-12)14(21)22/h1-8,17H,(H,21,22)(H2,18,19,23)/p-1