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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(m-tolyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(m-tolyl)thiourea Formula: C27H35N4O4S+ MolecularWeight: 511.6562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C27H34N4O4S/c1-19-6-4-7-22(14-19)28-27(36)31(9-5-8-30-10-12-35-13-11-30)18-21-15-20-16-24(33-2)25(34-3)17-23(20)29-26(21)32/h4,6-7,14-17H,5,8-13,18H2,1-3H3,(H,28,36)(H,29,32)/p+1