methyl 4-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(3-isopropoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(3-isopropoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

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