3-butyl-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-butyl-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3NC2=O)C)C

InChI

InChI=1S/C23H34N4O2S/c1-4-5-6-24-23(30)27(8-7-26-9-11-29-12-10-26)16-19-15-20-18(3)13-17(2)14-21(20)25-22(19)28/h13-15H,4-12,16H2,1-3H3,(H,24,30)(H,25,28)/p+1