ethyl 4-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(5-methyl-2-furanyl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=C(O3)C

InChI

InChI=1S/C22H29N3O4S/c1-3-28-21(26)18-5-7-19(8-6-18)23-22(30)25(16-20-9-4-17(2)29-20)11-10-24-12-14-27-15-13-24/h4-9H,3,10-16H2,1-2H3,(H,23,30)