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

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propionamide Formula: C21H23FN2O3S3 MolecularWeight: 466.612323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)F)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)F)S2)CCSC)OC

InChI

InChI=1S/C21H23FN2O3S3/c1-26-17-12-16-19(13-18(17)27-2)30-21(24(16)9-11-28-3)23-20(25)8-10-29-15-6-4-14(22)5-7-15/h4-7,12-13H,8-11H2,1-3H3