2-acetamido-3-(4-fluorophenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C23H26FN3O2S3 MolecularWeight: 491.664843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CC=C(C=C3)F)NC(=O)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CC=C(C=C3)F)NC(=O)C

InChI

InChI=1S/C23H26FN3O2S3/c1-14(2)30-10-11-31-23-27-19-9-8-18(13-21(19)32-23)26-22(29)20(25-15(3)28)12-16-4-6-17(24)7-5-16/h4-9,13-14,20H,10-12H2,1-3H3,(H,25,28)(H,26,29)