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

Systemtic Name: 3-[[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: 3-[[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 3-[[[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 3-[[(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CC=CC(=C2)C(=O)[O-])C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=CC=CC(=C2)C(=O)[O-])C(=O)C=C1

InChI

InChI=1S/C16H15N3O4S/c1-23-13-5-6-14(20)11(8-13)9-17-19-16(24)18-12-4-2-3-10(7-12)15(21)22/h2-9,17H,1H3,(H,21,22)(H2,18,19,24)/p-1