4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C20H21FN2O3S3 MolecularWeight: 452.585743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

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