3-(2,4-dimethylphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[(8-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-8-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

Click to see the large picture

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