N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propionamide Formula: C21H23FN2OS3 MolecularWeight: 434.613523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCSC3=CC=C(C=C3)F)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCSC3=CC=C(C=C3)F)N2CCSC

InChI

InChI=1S/C21H23FN2OS3/c1-14-12-18-19(13-15(14)2)28-21(24(18)9-11-26-3)23-20(25)8-10-27-17-6-4-16(22)5-7-17/h4-7,12-13H,8-11H2,1-3H3