N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-diethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-diethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(4-mesyl-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=CC=C2S(=O)(=O)C)C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCSC3=CC=C(C=C3)F

InChI

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