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

Systemtic Name: methyl 4-[[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate CAS Name: 4-[[[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)NC2=CC=C(C=C2)C(=O)OC)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC(=S)NC2=CC=C(C=C2)C(=O)OC)C=CC1=O

InChI

InChI=1S/C18H19N3O4S/c1-3-25-16-10-12(4-9-15(16)22)11-19-21-18(26)20-14-7-5-13(6-8-14)17(23)24-2/h4-11,19H,3H2,1-2H3,(H2,20,21,26)