N1,N4-bis[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]terephthalamide CAS Name: N1,N4-bis[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]terephthalamide Formula: C38H48N6O6S4 MolecularWeight: 813.08432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)N(CCCC)CCCC

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)N(CCCC)CCCC

InChI

InChI=1S/C38H48N6O6S4/c1-5-9-21-43(22-10-6-2)53(47,48)29-17-19-31-33(25-29)51-37(39-31)41-35(45)27-13-15-28(16-14-27)36(46)42-38-40-32-20-18-30(26-34(32)52-38)54(49,50)44(23-11-7-3)24-12-8-4/h13-20,25-26H,5-12,21-24H2,1-4H3,(H,39,41,45)(H,40,42,46)