methyl 4-[3-(dimethylamino)propyl-(4-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[3-(dimethylamino)propyl-(4-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[3-(dimethylamino)propyl-(4-fluoro-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[3-(dimethylamino)propyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(dimethylamino)propyl-(4-fluoro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[3-(dimethylamino)propyl-(4-fluoro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22FN3O3S/c1-24(2)12-5-13-25(21-23-18-16(22)6-4-7-17(18)29-21)19(26)14-8-10-15(11-9-14)20(27)28-3/h4,6-11H,5,12-13H2,1-3H3