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

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C25H39N5O3S+2 MolecularWeight: 489.67386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H37N5O3S/c1-20-3-4-23-21(17-20)18-22(24(31)27-23)19-30(8-7-29-11-15-33-16-12-29)25(34)26-5-2-6-28-9-13-32-14-10-28/h3-4,17-18H,2,5-16,19H2,1H3,(H,26,34)(H,27,31)/p+2