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

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

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCC

InChI

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