2-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide CAS Name: 2-methylsulfonyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-mesyl-benzamide Formula: C20H22N2O3S4 MolecularWeight: 466.66028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H22N2O3S4/c1-13(2)26-10-11-27-20-22-16-9-8-14(12-17(16)28-20)21-19(23)15-6-4-5-7-18(15)29(3,24)25/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)