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

Systemtic Name: methyl 4-morpholin-4-yl-3-(propanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-morpholino-3-(propanoylcarbamothioylamino)benzoate CAS Name: 4-(4-morpholinyl)-3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-(propanoylcarbamothioylamino)benzoate Traditional Name: 4-morpholino-3-(propionylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-14(20)18-16(24)17-12-10-11(15(21)22-2)4-5-13(12)19-6-8-23-9-7-19/h4-5,10H,3,6-9H2,1-2H3,(H2,17,18,20,24)