1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea Formula: C24H36N4O2S MolecularWeight: 444.63324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCC(C)C

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCC(C)C

InChI

InChI=1S/C24H36N4O2S/c1-17(2)15-25-24(31)28(9-5-8-27-10-12-30-13-11-27)16-20-14-21-18(3)6-7-19(4)22(21)26-23(20)29/h6-7,14,17H,5,8-13,15-16H2,1-4H3,(H,25,31)(H,26,29)