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

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-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-methoxy-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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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)OC)NC3=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3S/c1-18-4-6-23(19(2)14-18)28-26(34)30(9-8-29-10-12-33-13-11-29)17-21-15-20-16-22(32-3)5-7-24(20)27-25(21)31/h4-7,14-16H,8-13,17H2,1-3H3,(H,27,31)(H,28,34)/p+1