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

Systemtic Name: 3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea Formula: C24H36N4O2S MolecularWeight: 444.63324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CCCN1CCOCC1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CCCN1CCOCC1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

InChI

InChI=1S/C24H36N4O2S/c1-4-5-7-25-24(31)28(9-6-8-27-10-12-30-13-11-27)17-21-16-20-14-18(2)19(3)15-22(20)26-23(21)29/h14-16H,4-13,17H2,1-3H3,(H,25,31)(H,26,29)