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

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)C

InChI

InChI=1S/C23H34N4O2S/c1-16(2)14-24-23(30)27(6-5-26-7-9-29-10-8-26)15-20-13-19-11-17(3)18(4)12-21(19)25-22(20)28/h11-13,16H,5-10,14-15H2,1-4H3,(H,24,30)(H,25,28)/p+1