1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(m-tolyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(m-tolyl)thiourea Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O4S/c1-18-5-4-6-21(13-18)27-26(35)30(8-7-29-9-11-34-12-10-29)17-20-14-19-15-23(32-2)24(33-3)16-22(19)28-25(20)31/h4-6,13-16H,7-12,17H2,1-3H3,(H,27,35)(H,28,31)/p+1