N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide Formula: C24H31N3O3S3 MolecularWeight: 505.71624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S3/c1-17(2)13-27(14-18(3)4)33(29,30)20-10-11-21-22(12-20)32-24(25-21)26-23(28)16-31-15-19-8-6-5-7-9-19/h5-12,17-18H,13-16H2,1-4H3,(H,25,26,28)