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

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]-1-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylthiourea IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylthiourea Traditional Name: 1-isopropyl-1-[(2-keto-1H-quinolin-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-16(2)25(21(28)22-8-5-9-24-10-12-27-13-11-24)15-17-14-20(26)23-19-7-4-3-6-18(17)19/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3,(H,22,28)(H,23,26)/p+1