methyl 4-(2-morpholin-4-ylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-morpholin-4-ylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2-morpholinoethylcarbamothioylamino)benzoate CAS Name: 4-[[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-morpholin-4-ylethylcarbamothioylamino)benzoate Traditional Name: 4-(2-morpholinoethylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCOCC2

InChI

InChI=1S/C15H21N3O3S/c1-20-14(19)12-2-4-13(5-3-12)17-15(22)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H2,16,17,22)