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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]butyramide Formula: C21H23BrFN3OS2 MolecularWeight: 496.459223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrFN3OS2/c1-25(2)11-12-26(21-24-18-10-5-15(22)14-19(18)29-21)20(27)4-3-13-28-17-8-6-16(23)7-9-17/h5-10,14H,3-4,11-13H2,1-2H3