1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C21H30N4O4S/c1-22-21(30)25(6-4-5-24-7-9-29-10-8-24)14-16-11-15-12-18(27-2)19(28-3)13-17(15)23-20(16)26/h11-13H,4-10,14H2,1-3H3,(H,22,30)(H,23,26)/p+1