1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-ethyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3NC2=O)C)C

Isomeric SMILES

CCNC(=S)N(CCC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3NC2=O)C)C

InChI

InChI=1S/C22H32N4O2S/c1-4-23-22(29)26(7-5-6-25-8-10-28-11-9-25)15-18-14-19-17(3)12-16(2)13-20(19)24-21(18)27/h12-14H,4-11,15H2,1-3H3,(H,23,29)(H,24,27)/p+1