N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-benzylsulfonyl-N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C20H21FN2O3S3 MolecularWeight: 452.585743

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21FN2O3S3/c1-27-11-10-23-17-8-7-16(21)13-18(17)28-20(23)22-19(24)9-12-29(25,26)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3