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

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-18-4-6-23(20(3)14-18)28-26(33)30(9-8-29-10-12-32-13-11-29)17-22-16-21-15-19(2)5-7-24(21)27-25(22)31/h4-7,14-16H,8-13,17H2,1-3H3,(H,27,31)(H,28,33)/p+1