S-ethyl 5-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzenecarbothioate

Systemtic Name: S-ethyl 5-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzenecarbothioate Openeye Name: S-ethyl 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzenecarbothioate CAS Name: 5-[[4-[4-(methanesulfonamido)phenyl]-2-pyrimidinyl]amino]-2-(4-morpholinyl)benzenecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzenecarbothioate Traditional Name: 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholino-thiobenzoic acid S-ethyl ester Formula: C24H27N5O4S2 MolecularWeight: 513.63228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)N4CCOCC4

Isomeric SMILES

CCSC(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)N4CCOCC4

InChI

InChI=1S/C24H27N5O4S2/c1-3-34-23(30)20-16-19(8-9-22(20)29-12-14-33-15-13-29)26-24-25-11-10-21(27-24)17-4-6-18(7-5-17)28-35(2,31)32/h4-11,16,28H,3,12-15H2,1-2H3,(H,25,26,27)