3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C27H35N4O3S+ MolecularWeight: 495.6568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H34N4O3S/c1-4-34-23-7-8-24-21(17-23)16-22(26(32)28-24)18-31(10-9-30-11-13-33-14-12-30)27(35)29-25-15-19(2)5-6-20(25)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,28,32)(H,29,35)/p+1