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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C26H34N5O3S+ MolecularWeight: 496.64486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C26H33N5O3S/c1-2-34-23-6-7-24-21(16-23)15-22(25(32)29-24)19-31(18-20-5-3-8-27-17-20)26(35)28-9-4-10-30-11-13-33-14-12-30/h3,5-8,15-17H,2,4,9-14,18-19H2,1H3,(H,28,35)(H,29,32)/p+1