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

Systemtic Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propionamide Formula: C21H23FN2O2S3 MolecularWeight: 450.612923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)F)S2)CCSC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)F)S2)CCSC

InChI

InChI=1S/C21H23FN2O2S3/c1-3-26-16-6-9-18-19(14-16)29-21(24(18)11-13-27-2)23-20(25)10-12-28-17-7-4-15(22)5-8-17/h4-9,14H,3,10-13H2,1-2H3