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

Systemtic Name: methyl 4-morpholin-4-yl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(3-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(3-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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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)OC)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-3-11-31-18-6-4-5-16(14-18)21(27)25-23(32)24-19-15-17(22(28)29-2)7-8-20(19)26-9-12-30-13-10-26/h4-8,14-15H,3,9-13H2,1-2H3,(H2,24,25,27,32)