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

Systemtic Name: methyl 3-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 3-[[[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 3-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NNC=C2C=CC(=O)C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NNC=C2C=CC(=O)C=C2

InChI

InChI=1S/C16H15N3O3S/c1-22-15(21)12-3-2-4-13(9-12)18-16(23)19-17-10-11-5-7-14(20)8-6-11/h2-10,17H,1H3,(H2,18,19,23)