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

Systemtic Name: methyl 3-(butanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(butanoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(butanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(butyrylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-3-4-15(21)19-17(25)18-13-11-12(16(22)23-2)5-6-14(13)20-7-9-24-10-8-20/h5-6,11H,3-4,7-10H2,1-2H3,(H2,18,19,21,25)