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

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-p-phenetyl-thiourea Formula: C27H35N4O3S+ MolecularWeight: 495.6568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=C(C(=CC=C4)C)NC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=C(C(=CC=C4)C)NC3=O

InChI

InChI=1S/C27H34N4O3S/c1-3-34-24-10-8-23(9-11-24)28-27(35)31(13-5-12-30-14-16-33-17-15-30)19-22-18-21-7-4-6-20(2)25(21)29-26(22)32/h4,6-11,18H,3,5,12-17,19H2,1-2H3,(H,28,35)(H,29,32)/p+1