3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-phenethyl-urea

Systemtic Name: 3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-phenethyl-urea Openeye Name: 3-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-1-methyl-1-phenethyl-urea CAS Name: 3-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-1-methyl-1-phenethylurea IUPAC Name: 3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-phenethylurea Traditional Name: 3-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-1-methyl-1-phenethyl-urea Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

InChI

InChI=1S/C22H26N4O3S/c1-25(11-10-16-6-4-3-5-7-16)22(27)24-21-23-19-18(28-2)9-8-17(20(19)30-21)26-12-14-29-15-13-26/h3-9H,10-15H2,1-2H3,(H,23,24,27)