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

Systemtic Name: 3-ethyl-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-ethyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

Isomeric SMILES

CCNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

InChI

InChI=1S/C21H30N4O3S/c1-3-22-21(29)25(8-4-7-24-9-11-28-12-10-24)15-17-13-16-14-18(27-2)5-6-19(16)23-20(17)26/h5-6,13-14H,3-4,7-12,15H2,1-2H3,(H,22,29)(H,23,26)/p+1