3-(2-ethylphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(2-ethylphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(2-ethylphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=C(C(=CC=C4)C)NC3=O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=C(C(=CC=C4)C)NC3=O

InChI

InChI=1S/C27H34N4O2S/c1-3-21-9-4-5-11-24(21)28-27(34)31(13-7-12-30-14-16-33-17-15-30)19-23-18-22-10-6-8-20(2)25(22)29-26(23)32/h4-6,8-11,18H,3,7,12-17,19H2,1-2H3,(H,28,34)(H,29,32)/p+1