3-[[[(Z)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[[(Z)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 3-[[[(Z)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(Z)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[[(Z)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 3-[[[(Z)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiocarbamoylamino]benzoic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C/C(=C\NNC(=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)/b10-9-