methyl 4-[[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 4-[[[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 4-[[(6-ketocyclohexa-2,4-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=C(C=C1)NC(=S)NNC=C2C=CC=CC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NNC=C2C=CC=CC2=O

InChI

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