1-[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(3-fluoro-4-pyrrolidino-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H31FN5OS+ MolecularWeight: 408.556443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC(=C(C=C2)N3CCCC3)F

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC(=C(C=C2)N3CCCC3)F

InChI

InChI=1S/C20H30FN5OS/c1-16(17-5-6-19(18(21)15-17)26-9-2-3-10-26)23-24-20(28)22-7-4-8-25-11-13-27-14-12-25/h5-6,15H,2-4,7-14H2,1H3,(H2,22,24,28)/p+1/b23-16-