3-butyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 3-butyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 3-butyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 3-butyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 3-butyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 3-butyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC[NH+]1CCCC1)CC2=CC3=C(C=CC(=C3)OCC)NC2=O

Isomeric SMILES

CCCCNC(=S)N(CC[NH+]1CCCC1)CC2=CC3=C(C=CC(=C3)OCC)NC2=O

InChI

InChI=1S/C23H34N4O2S/c1-3-5-10-24-23(30)27(14-13-26-11-6-7-12-26)17-19-15-18-16-20(29-4-2)8-9-21(18)25-22(19)28/h8-9,15-16H,3-7,10-14,17H2,1-2H3,(H,24,30)(H,25,28)/p+1