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

Systemtic Name: 3-butyl-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-butyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-butyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-butyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=CC(=C3)C)NC2=O

Isomeric SMILES

CCCCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=CC(=C3)C)NC2=O

InChI

InChI=1S/C22H32N4O2S/c1-3-4-7-23-22(29)26(9-8-25-10-12-28-13-11-25)16-19-15-18-14-17(2)5-6-20(18)24-21(19)27/h5-6,14-15H,3-4,7-13,16H2,1-2H3,(H,23,29)(H,24,27)/p+1