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

Systemtic Name: N-(2-dimethylaminoethyl)-2-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-dimethylaminoethyl)-2-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-dimethylaminoethyl)-2-[(4-fluorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-dimethylaminoethyl)-2-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-dimethylaminoethyl)-2-[(4-fluorophenyl)thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H22FN3O3S3 MolecularWeight: 467.600383

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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)CSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O3S3/c1-23(2)10-11-24(19(25)13-28-15-6-4-14(21)5-7-15)20-22-17-9-8-16(30(3,26)27)12-18(17)29-20/h4-9,12H,10-11,13H2,1-3H3