N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H24FN3O3S3 MolecularWeight: 481.626963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S3/c1-24(2)11-12-25(20(26)10-13-29-16-6-4-15(22)5-7-16)21-23-18-9-8-17(31(3,27)28)14-19(18)30-21/h4-9,14H,10-13H2,1-3H3