3-(2-ethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(2-ethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-6-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/c1-3-21-7-4-5-8-24(21)29-27(34)31(12-6-11-30-13-15-33-16-14-30)19-23-18-22-17-20(2)9-10-25(22)28-26(23)32/h4-5,7-10,17-18H,3,6,11-16,19H2,1-2H3,(H,28,32)(H,29,34)/p+1