1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea Formula: C21H21FN5OS+ MolecularWeight: 410.487743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN5OS/c1-2-28-18-7-8-19-14(12-18)11-15(13-23)20(27-19)24-9-10-25-21(29)26-17-5-3-16(22)4-6-17/h3-8,11-12H,2,9-10H2,1H3,(H,24,27)(H2,25,26,29)/p+1