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

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-phenylethenylsulfonyl)ethanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-styrylsulfonyl-acetamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2-(2-phenylethenylsulfonyl)acetamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-phenylethenylsulfonyl)acetamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-2-styrylsulfonyl-acetamide Formula: C23H26N2O4S3 MolecularWeight: 490.65854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S3/c1-23(2,29-3)12-13-30-22-25-19-10-9-18(15-20(19)31-22)24-21(26)16-32(27,28)14-11-17-7-5-4-6-8-17/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,26)