1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(5,8-dimethyl-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-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C28H37N4O2S+ MolecularWeight: 493.68398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O2S/c1-4-22-8-5-6-9-25(22)29-28(35)32(13-7-12-31-14-16-34-17-15-31)19-23-18-24-20(2)10-11-21(3)26(24)30-27(23)33/h5-6,8-11,18H,4,7,12-17,19H2,1-3H3,(H,29,35)(H,30,33)/p+1