methyl 3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-isobutoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-isobutoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-16(2)15-32-19-6-4-5-17(13-19)22(28)26-24(33)25-20-14-18(23(29)30-3)7-8-21(20)27-9-11-31-12-10-27/h4-8,13-14,16H,9-12,15H2,1-3H3,(H2,25,26,28,33)