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

Systemtic Name: 3-[[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: 3-[[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 3-[[[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 3-[[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoate Formula: C16H14N3O4S- MolecularWeight: 344.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CC=CC(=C2)C(=O)[O-])C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=CC=CC(=C2)C(=O)[O-])C=CC1=O

InChI

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