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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C28H37N4O3S+ MolecularWeight: 509.68338

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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)OCC)NC3=O

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3S/c1-3-21-8-5-6-9-25(21)30-28(36)32(13-7-12-31-14-16-34-17-15-31)20-23-18-22-19-24(35-4-2)10-11-26(22)29-27(23)33/h5-6,8-11,18-19H,3-4,7,12-17,20H2,1-2H3,(H,29,33)(H,30,36)/p+1