N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-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=CC=C2SC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3S3/c1-25(2)13-14-26(22-24-21-18(30-3)6-4-7-19(21)31-22)20(27)8-5-15-32(28,29)17-11-9-16(23)10-12-17/h4,6-7,9-12H,5,8,13-15H2,1-3H3