ethyl 3-[[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 3-[[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 3-[[(3-ethoxy-3-oxo-propyl)-(2-furylmethyl)carbamothioyl]amino]benzoate CAS Name: 3-[[[(3-ethoxy-3-oxopropyl)-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(3-ethoxy-3-oxopropyl)-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 3-[[(3-ethoxy-3-keto-propyl)-(2-furfuryl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O5S/c1-3-25-18(23)10-11-22(14-17-9-6-12-27-17)20(28)21-16-8-5-7-15(13-16)19(24)26-4-2/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,28)