methyl 4-morpholin-4-yl-3-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C26H33N3O7S/c1-5-34-21-15-18(16-22(35-6-2)23(21)36-7-3)24(30)28-26(37)27-19-14-17(25(31)32-4)8-9-20(19)29-10-12-33-13-11-29/h8-9,14-16H,5-7,10-13H2,1-4H3,(H2,27,28,30,37)