1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenethylthiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethylthiourea Traditional Name: 1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea Formula: C28H37N4O2S+ MolecularWeight: 493.68398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4O2S/c1-21-17-22(2)26-24(18-21)19-25(27(33)30-26)20-32(12-6-11-31-13-15-34-16-14-31)28(35)29-10-9-23-7-4-3-5-8-23/h3-5,7-8,17-19H,6,9-16,20H2,1-2H3,(H,29,35)(H,30,33)/p+1