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

Systemtic Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-diethylaminoethyl)-2-[(4-fluorophenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-diethylaminoethyl)-2-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-diethylaminoethyl)-2-[(4-fluorophenyl)thio]-N-(4-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H26FN3O3S3 MolecularWeight: 495.653543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3S3/c1-4-25(5-2)13-14-26(20(27)15-30-17-11-9-16(23)10-12-17)22-24-21-18(31-22)7-6-8-19(21)32(3,28)29/h6-12H,4-5,13-15H2,1-3H3