methyl 2-[4-(2-morpholin-4-ylethylcarbamothioylamino)phenyl]ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2

InChI

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