ethyl 4-morpholin-4-yl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-morpholin-4-yl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-morpholino-3-[(3-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-[(3-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)N3CCOCC3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)N3CCOCC3

InChI

InChI=1S/C24H29N3O5S/c1-3-12-32-19-7-5-6-17(15-19)22(28)26-24(33)25-20-16-18(23(29)31-4-2)8-9-21(20)27-10-13-30-14-11-27/h5-9,15-16H,3-4,10-14H2,1-2H3,(H2,25,26,28,33)