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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C28H37N4O4S+ MolecularWeight: 525.68278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C28H36N4O4S/c1-4-20-8-5-6-9-23(20)30-28(37)32(11-7-10-31-12-14-36-15-13-31)19-22-16-21-17-25(34-2)26(35-3)18-24(21)29-27(22)33/h5-6,8-9,16-18H,4,7,10-15,19H2,1-3H3,(H,29,33)(H,30,37)/p+1