3-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]carbamoyl]-4-methyl-benzenesulfonamide

Systemtic Name: 3-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]carbamoyl]-4-methyl-benzenesulfonamide Openeye Name: 3-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]carbamoyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]carbamoyl]-4-methylbenzenesulfonamide Traditional Name: 3-[[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]carbamoyl]-4-methyl-benzenesulfonamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H21N5O4S2/c1-14-6-11-17(34(24,31)32)12-18(14)22(30)28-27-21(29)16-9-7-15(8-10-16)13-33-23-25-19-4-2-3-5-20(19)26-23/h2-12H,13H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H2,24,31,32)