ethyl 3-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(piperonyloylthiocarbamoylamino)benzoic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O6S/c1-2-29-21(27)15-3-5-17(25-7-9-28-10-8-25)16(11-15)23-22(32)24-20(26)14-4-6-18-19(12-14)31-13-30-18/h3-6,11-12H,2,7-10,13H2,1H3,(H2,23,24,26,32)