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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=C(C=CC(=C4)C)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC4=C(C=CC(=C4)C)NC3=O)C

InChI

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