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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O3S/c1-27-12-11-25(21(29)22-7-4-8-24-9-13-28-14-10-24)16-17-15-20(26)23-19-6-3-2-5-18(17)19/h2-3,5-6,15H,4,7-14,16H2,1H3,(H,22,29)(H,23,26)/p+1