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

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H26FN3O3S3 MolecularWeight: 495.653543

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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)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCCSC3=CC=C(C=C3)F

InChI

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