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

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-(6-mesyl-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:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCSC4=CC=C(C=C4)F

InChI

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