ethyl 3-(butanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-(butanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-(butanoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(butanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(butyrylthiocarbamoylamino)-4-morpholino-benzoic acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OCC)N2CCOCC2

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OCC)N2CCOCC2

InChI

InChI=1S/C18H25N3O4S/c1-3-5-16(22)20-18(26)19-14-12-13(17(23)25-4-2)6-7-15(14)21-8-10-24-11-9-21/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,20,22,26)