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

Systemtic Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-(2-methoxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H31N4O3S+ MolecularWeight: 419.56084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-16-4-3-5-17-14-18(20(26)23-19(16)17)15-25(21(29)22-6-11-27-2)8-7-24-9-12-28-13-10-24/h3-5,14H,6-13,15H2,1-2H3,(H,22,29)(H,23,26)/p+1