methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O6S/c1-28-21(27)15-2-4-17(25-6-8-29-9-7-25)16(12-15)23-22(32)24-20(26)14-3-5-18-19(13-14)31-11-10-30-18/h2-5,12-13H,6-11H2,1H3,(H2,23,24,26,32)