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

Systemtic Name: methyl 4-morpholin-4-yl-3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C23H27N3O7S/c1-29-18-12-15(13-19(30-2)20(18)31-3)21(27)25-23(34)24-16-11-14(22(28)32-4)5-6-17(16)26-7-9-33-10-8-26/h5-6,11-13H,7-10H2,1-4H3,(H2,24,25,27,34)