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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4S/c1-4-19-7-5-6-8-22(19)29-27(36)31(10-9-30-11-13-35-14-12-30)18-21-15-20-16-24(33-2)25(34-3)17-23(20)28-26(21)32/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,28,32)(H,29,36)/p+1