4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]butyramide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O3S3/c1-14-10-11-15(29(25,26)23(2)3)13-17(14)21-19(24)9-6-12-27-20-22-16-7-4-5-8-18(16)28-20/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,24)