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

Systemtic Name: methyl 4-morpholin-4-yl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(4-isopropylbenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-(cumoylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-15(2)16-4-6-17(7-5-16)21(27)25-23(31)24-19-14-18(22(28)29-3)8-9-20(19)26-10-12-30-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H2,24,25,27,31)