N4,N4-dimethyl-N1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-N1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-N1-[2-(methylthio)-1,3-benzothiazol-6-yl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-1-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzene-1,4-disulfonamide Formula: C16H17N3O4S4 MolecularWeight: 443.58388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C16H17N3O4S4/c1-19(2)27(22,23)13-7-5-12(6-8-13)26(20,21)18-11-4-9-14-15(10-11)25-16(17-14)24-3/h4-10,18H,1-3H3