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

Systemtic Name: N4,N4-diethyl-N1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[2-(methylthio)-1,3-benzothiazol-6-yl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzene-1,4-disulfonamide Formula: C18H21N3O4S4 MolecularWeight: 471.63704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S4/c1-4-21(5-2)29(24,25)15-9-7-14(8-10-15)28(22,23)20-13-6-11-16-17(12-13)27-18(19-16)26-3/h6-12,20H,4-5H2,1-3H3