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

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-isobutyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-isobutyl-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:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C

InChI

InChI=1S/C23H34N4O2S/c1-17(2)15-24-23(30)27(8-4-7-26-9-11-29-12-10-26)16-20-14-19-6-5-18(3)13-21(19)25-22(20)28/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1