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

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

Isomeric SMILES

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

InChI

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