diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-fluorophenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-fluorophenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-[(4-fluorophenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]ethyl]ammonium Formula: C22H27FN3OS+ MolecularWeight: 400.532683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3OS/c1-4-16-7-12-19-20(15-16)28-22(24-19)26(14-13-25(5-2)6-3)21(27)17-8-10-18(23)11-9-17/h7-12,15H,4-6,13-14H2,1-3H3/p+1