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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

CNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C20H28N4O4S/c1-21-20(29)24(5-4-23-6-8-28-9-7-23)13-15-10-14-11-17(26-2)18(27-3)12-16(14)22-19(15)25/h10-12H,4-9,13H2,1-3H3,(H,21,29)(H,22,25)/p+1