N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C23H28FN3O3S3 MolecularWeight: 509.680123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O3S3/c1-4-26(5-2)13-14-27(23-25-20-11-8-18(31-3)16-21(20)32-23)22(28)12-15-33(29,30)19-9-6-17(24)7-10-19/h6-11,16H,4-5,12-15H2,1-3H3