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

Systemtic Name: 3-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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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)