3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C23H21FN2O3S4 MolecularWeight: 520.682843

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O3S4/c1-30-18-6-9-20-21(15-18)32-23(25-20)26(12-10-17-3-2-13-31-17)22(27)11-14-33(28,29)19-7-4-16(24)5-8-19/h2-9,13,15H,10-12,14H2,1H3