1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(2-furfuryl)-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CO4)C

InChI

InChI=1S/C25H32N4O3S/c1-18-13-19(2)23-20(14-18)15-21(24(30)27-23)17-29(7-4-6-28-8-11-31-12-9-28)25(33)26-16-22-5-3-10-32-22/h3,5,10,13-15H,4,6-9,11-12,16-17H2,1-2H3,(H,26,33)(H,27,30)/p+1