1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholinopropyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholinopropyl)thiourea Formula: C27H41N5O5S MolecularWeight: 547.70994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NCCCN4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NCCCN4CCOCC4)OC

InChI

InChI=1S/C27H41N5O5S/c1-34-24-18-21-17-22(26(33)29-23(21)19-25(24)35-2)20-32(8-4-7-31-11-15-37-16-12-31)27(38)28-5-3-6-30-9-13-36-14-10-30/h17-19H,3-16,20H2,1-2H3,(H,28,38)(H,29,33)