2-(4-methylsulfonylphenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4-methylsulfonylphenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-methylsulfonylphenyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-(4-mesylphenyl)acetamide Formula: C21H24N2O3S4 MolecularWeight: 480.68686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S4/c1-14(2)27-10-11-28-21-23-18-9-6-16(13-19(18)29-21)22-20(24)12-15-4-7-17(8-5-15)30(3,25)26/h4-9,13-14H,10-12H2,1-3H3,(H,22,24)