1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(m-tolyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(m-tolyl)thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCOCC2)CC3=CC4=C(C=C(C=C4NC3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCOCC2)CC3=CC4=C(C=C(C=C4NC3=O)C)C

InChI

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