1-[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[[2-(2-furyl)quinoline-4-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[[2-(2-furanyl)-4-quinolinyl]-oxomethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[[2-(2-furyl)quinoline-4-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H24N5O3S+ MolecularWeight: 426.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H23N5O3S/c27-20(24-25-21(30)22-7-8-26-9-12-28-13-10-26)16-14-18(19-6-3-11-29-19)23-17-5-2-1-4-15(16)17/h1-6,11,14H,7-10,12-13H2,(H,24,27)(H2,22,25,30)/p+1