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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]propionamide Formula: C20H21BrFN3OS2 MolecularWeight: 482.432643

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21BrFN3OS2/c1-24(2)10-11-25(20-23-17-8-3-14(21)13-18(17)28-20)19(26)9-12-27-16-6-4-15(22)5-7-16/h3-8,13H,9-12H2,1-2H3