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

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(p-tolyl)thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(p-tolyl)thiourea Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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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=C(C=C4)C)NC3=O

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-18-4-7-22(8-5-18)26-25(32)29(10-9-28-11-13-31-14-12-28)17-21-16-20-6-3-19(2)15-23(20)27-24(21)30/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,32)(H,27,30)/p+1