dimethyl 5-(morpholin-4-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(morpholin-4-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(morpholinocarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(morpholin-4-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(morpholinothiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NN2CCOCC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NN2CCOCC2)C(=O)OC

InChI

InChI=1S/C15H19N3O5S/c1-21-13(19)10-7-11(14(20)22-2)9-12(8-10)16-15(24)17-18-3-5-23-6-4-18/h7-9H,3-6H2,1-2H3,(H2,16,17,24)