3-(3-methoxypropyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(3-methoxypropyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(3-methoxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(3-methoxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(3-methoxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C23H35N4O3S+ MolecularWeight: 447.614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCCOC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCCOC

InChI

InChI=1S/C23H34N4O3S/c1-18-6-3-7-19-16-20(22(28)25-21(18)19)17-27(23(31)24-8-4-13-29-2)10-5-9-26-11-14-30-15-12-26/h3,6-7,16H,4-5,8-15,17H2,1-2H3,(H,24,31)(H,25,28)/p+1