N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-(4-mesylphenyl)-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H26N2O4S3/c1-22(2,28-3)11-12-29-21-24-18-10-7-16(14-19(18)30-21)23-20(25)13-15-5-8-17(9-6-15)31(4,26)27/h5-10,14H,11-13H2,1-4H3,(H,23,25)