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

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(veratroylthiocarbamoylamino)benzoic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)OC

InChI

InChI=1S/C22H25N3O6S/c1-28-18-7-5-14(13-19(18)29-2)20(26)24-22(32)23-16-12-15(21(27)30-3)4-6-17(16)25-8-10-31-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24,26,32)