N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide

Systemtic Name: N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide Openeye Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide CAS Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-(methylthio)-1,3-benzothiazole-5-sulfonamide IUPAC Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide Traditional Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-2-(methylthio)-1,3-benzothiazole-5-sulfonamide Formula: C20H24N2O3S3 MolecularWeight: 436.61116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCNS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCNS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)SC

InChI

InChI=1S/C20H24N2O3S3/c1-13(2)16-7-5-14(3)11-18(16)25-10-9-21-28(23,24)15-6-8-19-17(12-15)22-20(26-4)27-19/h5-8,11-13,21H,9-10H2,1-4H3