methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(pivaloylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2

InChI

InChI=1S/C18H25N3O4S/c1-18(2,3)16(23)20-17(26)19-13-11-12(15(22)24-4)5-6-14(13)21-7-9-25-10-8-21/h5-6,11H,7-10H2,1-4H3,(H2,19,20,23,26)