1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-ethyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-4-22-21(28)25(8-7-24-9-11-27-12-10-24)14-17-13-18-15(2)5-6-16(3)19(18)23-20(17)26/h5-6,13H,4,7-12,14H2,1-3H3,(H,22,28)(H,23,26)/p+1