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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C27H35N4O5S+ MolecularWeight: 527.6556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C27H34N4O5S/c1-33-23-8-5-4-7-21(23)29-27(37)31(10-6-9-30-11-13-36-14-12-30)18-20-15-19-16-24(34-2)25(35-3)17-22(19)28-26(20)32/h4-5,7-8,15-17H,6,9-14,18H2,1-3H3,(H,28,32)(H,29,37)/p+1