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

Systemtic Name: methyl 4-[(2-morpholin-4-ylethylcarbamothioylamino)methyl]benzoate Openeye Name: methyl 4-[(2-morpholinoethylcarbamothioylamino)methyl]benzoate CAS Name: 4-[[[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-ylethylcarbamothioylamino)methyl]benzoate Traditional Name: 4-[(2-morpholinoethylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-21-15(20)14-4-2-13(3-5-14)12-18-16(23)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H2,17,18,23)