N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide Traditional Name: 4-(benzylthio)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butyramide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S3/c1-23(2)29(25,26)16-10-11-17-18(13-16)28-20(21-17)22-19(24)9-6-12-27-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22,24)