3-butyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 3-butyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 3-butyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1CCC[NH+]1CC)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4OS/c1-5-7-12-25-24(30)28(16-21-9-8-13-27(21)6-2)15-20-14-19-11-10-17(3)18(4)22(19)26-23(20)29/h10-11,14,21H,5-9,12-13,15-16H2,1-4H3,(H,25,30)(H,26,29)/p+1/t21-/m0/s1