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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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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)NC4=CC=CC=C4CC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC4=CC=CC=C4CC

InChI

InChI=1S/C27H34N4O2S/c1-3-20-9-10-25-22(17-20)18-23(26(32)28-25)19-31(12-11-30-13-15-33-16-14-30)27(34)29-24-8-6-5-7-21(24)4-2/h5-10,17-18H,3-4,11-16,19H2,1-2H3,(H,28,32)(H,29,34)/p+1