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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3)C)NC2=O

Isomeric SMILES

CCCCNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3)C)NC2=O

InChI

InChI=1S/C23H34N4O2S/c1-3-4-8-24-23(30)27(10-5-9-26-11-13-29-14-12-26)17-20-16-19-7-6-18(2)15-21(19)25-22(20)28/h6-7,15-16H,3-5,8-14,17H2,1-2H3,(H,24,30)(H,25,28)/p+1